SCHEMBL12806358

SCHEMBL12806358

CCc1cccc(OC)c1CI

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ IDO1 P14902 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ GABRA1 P14867 2/20 0.39

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
SCHEMBL3715197 0.86 ALOX5 (0.44) ALOX5PTGS2L3MBTL1KDM4EIDO1
SCHEMBL31395428 0.86 ALOX5 (0.44) ALOX5PTGS2L3MBTL1KDM4EIDO1
SCHEMBL17525382 0.83 CA1 (0.50) L3MBTL1KDM4EIDO1MAPTHPGD
SCHEMBL38657634 0.81 GABRA1 (0.50) L3MBTL1MAPTTAAR1GABRA1GABRB2
SCHEMBL19545861 0.81 ALOX5 (0.49) ALOX5PTGS2L3MBTL1KDM4EIDO1
SCHEMBL1547302 0.77 CA1 (0.52) ALOX5PTGS2L3MBTL1KDM4EIDO1
SCHEMBL172225 0.76 HTR2A (0.46) ALOX5PTGS2L3MBTL1KDM4EIDO1
SCHEMBL9046757 0.75 PTGS2 (0.44) ALOX5PTGS2L3MBTL1KDM4EMAPT
SCHEMBL1044930 0.74 CA1 (0.50) L3MBTL1KDM4EMAPTHPGDCA12
SCHEMBL17939 0.74 IDO1 (0.59) L3MBTL1KDM4EIDO1MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 — — EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 — — EP disclosed
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