SCHEMBL30341069

SCHEMBL30341069

COc1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc1.[Na+]

nearest known ligand 0.80

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 2/20 0.80
▸ PTGS2 known ✓ P35354 2/20 0.49
▸ PTPN1 P18031 2/20 0.62
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ MAPT P10636 4/20 0.50
▸ PRMT1 Q99873 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CARM1 Q86X55 1/20 0.50
▸ APP P05067 1/20 0.50
▸ MPL P40238 1/20 0.48
▸ CDK1 P06493 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL1096353 0.89 CYP1A2 (0.76) THRBPTPN1CYP1A2CYP2C9MAPT
SCHEMBL1096355 0.89 CYP1A2 (0.76) THRBPTPN1CYP1A2CYP2C9MAPT
E110 SCHEMBL29350765 0.89 THRB (1.00) THRBPTPN1CYP1A2CYP2C9MAPT
E110 SCHEMBL13276157 0.89 THRB (1.00) THRBPTPN1CYP1A2CYP2C9MAPT
E110 SCHEMBL142458 0.89 THRB (1.00) THRBPTPN1CYP1A2CYP2C9MAPT
E110 SCHEMBL323402 0.89 THRB (1.00) THRBPTPN1CYP1A2CYP2C9MAPT
SCHEMBL27866118 0.88 CYP1A2 (0.74) THRBPTPN1CYP1A2CYP2C9MAPT
SCHEMBL30341067 0.87 THRB (0.85) THRBPTPN1CYP1A2CYP2C9MAPT
SCHEMBL12760915 0.86 THRB (0.95) THRBPTPN1CYP1A2CYP2C9MAPT
SCHEMBL3196947 0.85 THRB (0.88) THRBPTPN1CYP1A2CYP2C9MAPT

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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