SCHEMBL7143462

SCHEMBL7143462

Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C1CC2CCCCC2CN1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 6)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 11/20 0.45
▸ GRIA2 P42262 6/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL9252261 0.84 L3MBTL1 (0.43) GRIK1GRIA2L3MBTL1TSHRALDH1A1
SCHEMBL5506318 0.82 CTSC (0.42) TSHRALDH1A1CYP2D6
SCHEMBL28679839 0.82 CTSC (0.42) TSHRALDH1A1CYP2D6
SCHEMBL20446605 0.82 CA1 (0.42) GRIK1GRIA2L3MBTL1TSHRALDH1A1
SCHEMBL6250751 0.80 TSHR (0.43) TSHRALDH1A1CYP2D6
Proline SCHEMBL3060990 0.78 CYP2D6 (0.43) L3MBTL1TSHRALDH1A1CYP2D6
Proline SCHEMBL3060992 0.78 CYP2D6 (0.43) L3MBTL1TSHRALDH1A1CYP2D6
D-Proline SCHEMBL3803838 0.78 CYP2D6 (0.43) L3MBTL1TSHRALDH1A1CYP2D6
SCHEMBL7425043 0.78 L3MBTL1 (0.57) GRIK1GRIA2L3MBTL1CYP2D6
SCHEMBL7331455 0.78 L3MBTL1 (0.57) GRIK1GRIA2L3MBTL1CYP2D6

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-1368032-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 — — EP claimed
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-03-27 — — WO claimed
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