Indigotindisulfonate

Indigotindisulfonate

SCHEMBL118376

O=C1C(=C2Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Indigotindisulfonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.50
CA1 known ✓ P00915 1/20 0.50
CA2 known ✓ P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CASP3 P42574 6/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKLR P30613 1/20 0.38
TGM2 P21980 5/20 0.38
CES1 P23141 3/20 0.38
CAPN9 O14815 1/20 0.38
FTO Q9C0B1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Indigotindisulfonate SCHEMBL29352151 1.00 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL40486 1.00 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL20775438 0.98 CA12 (0.49) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL3206773 0.92 CA12 (0.44) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL2300219 0.92 CA12 (0.44) CA12CA1CA2CA9CASP3
SCHEMBL454611 0.85 CA12 (0.69) CA12CA1CA2CA9CASP3
SCHEMBL4553415 0.84 CA12 (0.38) CA12CA1CA2CA9CASP3
SCHEMBL4553414 0.84 CA12 (0.38) CA12CA1CA2CA9CASP3
Water SCHEMBL7085288 0.84 CA12 (0.67) CA12CA1CA2CA9CASP3
Potassium Ion SCHEMBL2867164 0.83 CA12 (0.40) CA12CA1CA2CA9CASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3027 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005421-B1 Method of preparing adsorbent from sugarcane bagasse and polyolefin waste King Faisal University (SA) 2024-06-11 US claimed
EP-3956369-B1 SENSOR BASED ON A POLYOLEFIN MATRIX AND A SENSING COMPOUND SABIC GLOBAL TECHNOLOGIES BV (NL) 2024-05-22 EP claimed
US-20240156992-A1 Ophthalmic Compositions, and Ocular Uses Thereof, of Indigo Carmine ZEBRA BIOTECH PTY LTD (AU) 2024-05-16 US claimed
US-11938462-B1 Activated carbon flakes using palm fiber and polyethylene waste King Faisal University (SA) 2024-03-26 US claimed
EP-4331464-A1 DECONTAMINATION AGENT VISUALIZING SHEET, DECONTAMINATION AGENT VISUALIZING PARTICLE, AND DECONTAMINATION AGENT VISUALIZING METHOD USING SAME, AND INFORMATION ACQUISITION SYSTEM CANON KABUSHIKI KAISHA (JP) 2024-03-06 EP claimed
US-20240050614-A1 DISINFECTANT VISUALIZATION SHEET, DISINFECTANT VISUALIZATION PARTICLE, DISINFECTANT VISUALIZATION METHOD USING SHEET OR PARTICLE, AND INFORMATION ACQUISITION SYSTEM CANON KABUSHIKI KAISHA (JP) 2024-02-15 US claimed
US-11896952-B1 Adsorbent using biowaste and plastic waste for wastewater treatment King Faisal University (SA) 2024-02-13 US claimed
US-11896950-B1 Activated carbon composite flakes using olive stone-polyethylene waste King Faisal University (SA) 2024-02-13 US claimed
WO-2024010829-A1 PHOTO-CATALYTIC ANTIMICROBIAL PACKAGING FILMS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2024-01-11 WO claimed
US-20240011099-A1 STAINED BIOLOGICAL SPECIMENS INCLUDING ONE OR MORE BIOMARKERS LABELED WITH ONE OR MORE DETECTABLE MOIETIES VENTANA MED SYST INC (US) 2024-01-11 US claimed
WO-1994023646-A1 STABILIZATION OF VOLTAGE SENSITIVE DYES MALLINCKRODT MEDICAL, INC. (US) 1994-10-27 WO claimed
EP-0618949-A1 IONIC DYE-BASED ELECTRORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1994-10-12 EP claimed
EP-0618949-A4 IONIC DYE-BASED ELECTRORHEOLOGICAL MATERIALS. LORD CORP (US) 1994-07-07 EP claimed
US-5306438-A Dielectric hydrophobic liquid carrier fluid with anionic dye particles; quick response LORD CORPORATION (US) 1994-04-26 US claimed
US-5300293-A Mixture of antigrowth agent and dextrin SUMITOMO CHEMICAL CO., LTD. (JP) 1994-04-05 US claimed
US-5250385-A Photosensitivity, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1993-10-05 US claimed
WO-1993019143-A1 COLORANT-CONTAINING ELECTRORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1993-09-30 WO claimed
WO-1993012192-A1 IONIC DYE-BASED ELECTRORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1993-06-24 WO claimed
US-5096710-A Cockroaches, juvenile hormone or chitin synthesis inhibitor, dextrin, plant oil SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-17 US claimed
US-4834977-A Poison bait for control of noxious insects SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-30 US claimed