SCHEMBL6689075

SCHEMBL6689075

CCCOc1cccc2c1N(C(C)(C)C)C(SN)S2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ CYP2A6 P11509 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NLRP1 Q9C000 1/20 0.30

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
SCHEMBL6693679 0.90 ALDH1A1 (0.33) HTR2CHTR2BALDH1A1MAPTPKM
SCHEMBL6689034 0.88 HTR2C (0.32) HTR2CHTR2BMCHR1CYP2A6
SCHEMBL6689386 0.83 APLNR (0.33) —
SCHEMBL6690623 0.78 CRHBP (0.34) —
SCHEMBL6688607 0.77 ALDH1A1 (0.35) HTR2CHTR2BMCHR1CYP1A2CYP2C9
SCHEMBL6697903 0.75 CYP1A2 (0.38) HTR2BMCHR1CYP1A2CYP2C9CYP2C19
SCHEMBL6689482 0.72 CYP2C9 (0.35) MCHR1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6692263 0.72 ALDH1A1 (0.35) HTR2CHTR2BALDH1A1LMNAMAPT
SCHEMBL6690930 0.71 TSHR (0.33) HTR2CHTR2BALDH1A1LMNAMAPT
SCHEMBL6689398 0.70 ALDH1A1 (0.34) HTR2CHTR2BALDH1A1MAPTPKM

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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