SCHEMBL6694906

SCHEMBL6694906

CCCCOc1cccc2c1SC(S[N])N2CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MCHR1 Q99705 2/20 0.33
▸ TSHR P16473 3/20 0.32
▸ TP53 P04637 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6694321 0.88 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6690278 0.83 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6694292 0.80 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6697773 0.79 LMNA (0.35) CYP1A2CYP2C9CYP2C19TP53DRD2
SCHEMBL6696724 0.75 ALDH1A1 (0.35) HSD17B10GAAKDM4EALDH1A1ALOX15
SCHEMBL6697887 0.73 HRH3 (0.33) CYP1A2CYP2C9CYP2C19TSHRGAA
SCHEMBL6698691 0.73 HTR2A (0.33) CYP1A2CYP2C9CYP2C19TSHRGAA
SCHEMBL6697903 0.73 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19MCHR1TSHR
SCHEMBL6690660 0.71 HSD11B1 (0.35) HSD17B10GAAKDM4EALDH1A1GLA
SCHEMBL6691559 0.71 ALDH1A1 (0.34) TSHRHSD17B10GAAALDH1A1DRD2

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 4 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-0890605-A2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 1999-01-13 — — EP disclosed
EP-0869016-A2 Pneumatic radial tires Bridgestone Corporation (JP) 1998-10-07 — — EP disclosed
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