SCHEMBL6691234

SCHEMBL6691234

CCCCOc1ccc2c(c1)N(C(C)(C)C)C(S[N])S2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ HTR1B P28222 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ CHRM2 P08172 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
SCHEMBL6698691 0.82 HTR2A (0.33) HTR2AHTR2CHTR1BHTR2BHTR1D
SCHEMBL6691038 0.81 TSHR (0.33) HTR2AHTR2CHTR1BHTR2BHTR1D
SCHEMBL6691232 0.78 MEN1 (0.35) MEN1NPC1ALDH1A1MAPTKMT2A
SCHEMBL6690278 0.75 CYP1A2 (0.35) KMT2ACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL6694327 0.72 RAB9A (0.34) HTR2AHTR2CHTR1BHTR2BHTR1D
SCHEMBL6691267 0.72 NQO1 (0.34) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL6693788 0.70 MEN1 (0.35) MEN1NPC1ALDH1A1MAPTKMT2A
SCHEMBL6690892 0.64 NQO1 (0.34) MEN1NPC1ALDH1A1MAPTKMT2A
SCHEMBL6697925 0.62 KMT2A (0.37) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL29919785 0.60 CA12 (0.56) CA12CA1CA2CA3CA4

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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