SCHEMBL6697971

SCHEMBL6697971

CCCCOc1cccc2c1N(C(C)(C)C)C(SN)S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MCHR1 Q99705 3/20 0.34
▸ TSHR P16473 4/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL6689075 0.94 HTR2C (0.34) CYP1A2CYP2C9CYP2C19MCHR1HTT
SCHEMBL6693679 0.89 ALDH1A1 (0.33) HTTALDH1A1KDM4EMAPK1TDP1
SCHEMBL6691237 0.88 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6694183 0.83 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6689034 0.82 HTR2C (0.32) MCHR1HTR2B
SCHEMBL6697903 0.81 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6689482 0.78 CYP2C9 (0.35) CYP1A2CYP2C9CYP2C19MCHR1TP53
SCHEMBL6690623 0.77 CRHBP (0.34) CRHBPCRHR2
SCHEMBL6693175 0.77 MAPT (0.32) HTTALDH1A1MAPT
SCHEMBL6690930 0.75 TSHR (0.33) TSHRGAAALDH1A1L3MBTL1HPGD

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-0869016-B1 Pneumatic radial tires BRIDGESTONE CORP (JP) 2004-03-03 — — EP disclosed
US-6336486-B1 Pneumatic radical tire having cap base tread BRIDGESTONE CORPORATION (JP) 2002-01-08 — — US disclosed
EP-0869016-A2 Pneumatic radial tires Bridgestone Corporation (JP) 1998-10-07 — — EP disclosed
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