SCHEMBL30341067

SCHEMBL30341067

Cc1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc1.[Na+]

nearest known ligand 0.85

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 4/20 0.85
▸ CYP1A2 P05177 2/20 0.80
▸ CYP2C9 P11712 2/20 0.80
▸ PTPN1 P18031 2/20 0.60
▸ MAPT P10636 5/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ APP P05067 1/20 0.53
▸ TDP1 Q9NUW8 5/20 0.50
▸ HIF1A Q16665 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GLO1 Q04760 2/20 0.47
▸ TSHR P16473 1/20 0.47

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
E110 SCHEMBL13276157 0.92 THRB (1.00) THRBCYP1A2CYP2C9PTPN1MAPT
E110 SCHEMBL142458 0.92 THRB (1.00) THRBCYP1A2CYP2C9PTPN1MAPT
E110 SCHEMBL323402 0.92 THRB (1.00) THRBCYP1A2CYP2C9PTPN1MAPT
E110 SCHEMBL29350765 0.92 THRB (1.00) THRBCYP1A2CYP2C9PTPN1MAPT
SCHEMBL29438530 0.90 THRB (0.77) THRBCYP1A2CYP2C9PTPN1MAPT
SCHEMBL12760915 0.90 THRB (0.95) THRBCYP1A2CYP2C9PTPN1MAPT
SCHEMBL1096317 0.89 CYP1A2 (1.00) THRBCYP1A2CYP2C9PTPN1MAPT
SCHEMBL1096315 0.89 CYP1A2 (1.00) THRBCYP1A2CYP2C9PTPN1MAPT
SCHEMBL15598887 0.89 CYP1A2 (1.00) THRBCYP1A2CYP2C9PTPN1MAPT
SCHEMBL29489969 0.89 THRB (0.88) THRBCYP1A2CYP2C9PTPN1MAPT

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

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3434764-B1 FABRIC AND HOME CARE PRODUCTS PROCTER & GAMBLE (US) 2026-04-08 — — EP disclosed
US-12338416-B2 Fabric and home care products with cold water protease THE PROCTER & GAMBLE COMPANY (US) 2025-06-24 — — US disclosed
EP-4159833-A2 FABRIC AND HOME CARE PRODUCTS The Procter & Gamble Company (US) 2023-04-05 — — EP disclosed
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