Indigotindisulfonate

Indigotindisulfonate

SCHEMBL40486

O=C1/C(=C2\Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+]

nearest known ligand 0.50

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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 SCHEMBL118376 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 10625 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186407-A1 TRANSMUCOSAL THERAPEUTIC SYSTEM CONTAINING A MACROLIDE IMMUNOSUPPRESSANT NUCLEUS MEDICAL GMBH (DE) 2025-06-12 US claimed
US-12287245-B2 Time-temperature indicator E.O.S. S.P.A. (IT) 2025-04-29 US claimed
US-12207788-B2 Endoscope apparatus, operating method of endoscope apparatus, and information storage medium OLYMPUS CORPORATION (JP) 2025-01-28 US claimed
EP-4489725-A1 TRANSMUCOSAL THERAPEUTIC SYSTEM CONTAINING A MACROLIDE IMMUNOSUPPRESSANT LTS Lohmann Therapie-Systeme AG (DE) 2025-01-15 EP claimed
EP-4448404-A1 INDICATOR DEVICE AND SYSTEM AND USES THEREOF FOR DETECTING FOOD SPOILAGE Bio Tip Ltd (IL) 2024-10-23 EP claimed
US-12065698-B2 Sample processing apparatus and method THERMO FISHER SCIENTIFIC BALTICS UAB (LT) 2024-08-20 US claimed
US-20240261363-A1 METHODS OF TREATING AND PREVENTING CANCER TREATMENT SIDE EFFECTS FILAMENT BIOSOLUTIONS INC. 2024-08-08 US claimed
CN-118319789-A Pressure-sensitive whitening chromogenic gel, preparation method and application 南京医科大学附属口腔医院 2024-07-12 CN claimed
CN-118265656-A Indicator device and system for detecting food spoilage and use thereof 生物技巧有限责任公司 2024-06-28 CN claimed
CN-118247163-A Digestive tract image enhancement method, device, equipment and storage medium 北京理工大学 2024-06-25 CN claimed
EP-0022996-B1 PROCESS FOR THE PERMANENT RESHAPING OF THE HAIR Wella Aktiengesellschaft (DE) 1984-04-25 EP claimed
US-4419451-A METAL-METAL SALT REACTION PRODUCT BECTON DICKINSON AND COMPANY (US) 1983-12-06 US claimed
EP-0061444-A4 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS. UNION OIL CO (US) 1983-02-04 EP claimed
EP-0066199-A2 Oxygen scavenging system for anaerobiosis Becton Dickinson and Company (US) 1982-12-08 EP claimed
EP-0061444-A1 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS. UNION OIL CO (US) 1982-10-06 EP claimed
WO-1982001364-A1 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS UNION OIL CO (US) 1982-04-29 WO claimed
US-4283379-A WASHING SOLUTION OF SOLUBILIZED VANADIUM, WATER SOLUBLE NONQUINONE AROMATIC COMPOUNDS, THIOCYANATE IONS, AND A CARBOXYLATE COMPLEXING AGENT UNION OIL COMPANY OF CALIFORNIA (US) 1981-08-11 US claimed
US-4209534-A Method of production of thermostable textured milk protein product resembling beef AKADEMIA ROLNICZO-TECHNICZNA (PL) 1980-06-24 US claimed
US-4025164-A Liquid crystal display device for colored display of information with a selective polarizer BBC BROWN BOVERI & COMPANY LIMITED (CH) 1977-05-24 US claimed
US-3975554-A Process for priming DOW CORNING CORPORATION (US) 1976-08-17 US claimed