SCHEMBL6697903

SCHEMBL6697903

CCCCOc1cccc2c1SC(SN)N2C(C)(C)C

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 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ CAMK2B Q13554 1/20 0.32
▸ CAMK2G Q13555 1/20 0.32
▸ CAMK2D Q13557 1/20 0.32
▸ TAOK1 Q7L7X3 1/20 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

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
SCHEMBL6689398 0.89 ALDH1A1 (0.34) TSHRGAAHTTALDH1A1KDM4E
SCHEMBL6690278 0.88 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6694321 0.83 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6697971 0.81 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6690260 0.77 LMNA (0.35) CYP1A2CYP2C9CYP2C19MCHR1TP53
SCHEMBL6691559 0.77 ALDH1A1 (0.34) TSHRGAAHTTALDH1A1HSD17B10
SCHEMBL6689075 0.75 HTR2C (0.34) CYP1A2CYP2C9CYP2C19MCHR1HTT
SCHEMBL6691038 0.75 TSHR (0.33) CYP1A2CYP2C9CYP2C19TSHRGAA
SCHEMBL6690930 0.75 TSHR (0.33) TSHRGAAALDH1A1L3MBTL1HPGD
SCHEMBL6694906 0.73 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19MCHR1TSHR

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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