SCHEMBL30873092

SCHEMBL30873092

Cc1c(F)cccc1NS(=O)(=O)[O-].[Na+]

nearest known ligand 0.55

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 19)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 1/20 0.39
▸ NR3C1 known ✓ P04150 1/20 0.39
▸ TP53 P04637 1/20 0.55
▸ PKM P14618 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.46
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PSIP1 O75475 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.38

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
SCHEMBL27183070 1.00 TP53 (0.55) TP53PKMKDM4EMAPTHTT
SCHEMBL27182884 0.81 PTGES2 (0.45) TP53PKMPSIP1SMN1; SMN2SLC40A1
SCHEMBL30834890 0.81 KEAP1 (0.67) TP53PKMKDM4EMAPTHTT
SCHEMBL27183300 0.81 PSIP1 (0.58) PKMMAPTRXFP1PSIP1SMN1; SMN2
SCHEMBL30834824 0.79 SLC40A1 (0.48) TP53PKMMAPTKEAP1NFE2L2
SCHEMBL27183017 0.75 KMT2A (0.41) PKMMAPK1PSIP1SMN1; SMN2SLC40A1
SCHEMBL2592441 0.73 ALDH1A1 (0.56) PKMMAPTHTTKEAP1NFE2L2
SCHEMBL27183386 0.71 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL9230273 0.70 ALDH1A1 (0.49) TP53PKMKDM4EMAPTHTT
SCHEMBL19993233 0.69 GAA (0.47) TP53PKMKDM4EMAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4593631-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME Mars, Incorporated (US) 2025-08-06 — — EP disclosed
WO-2024073025-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-04 — — WO disclosed
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