SCHEMBL29187782

SCHEMBL29187782

CCCCCCC(CSc1ccnc(C2CC2)c1Cl)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.34
▸ PTGES O14684 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.31
▸ EPHX2 P34913 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
SCHEMBL28642427 0.86 LMNA (0.33) THRBGPR84
SCHEMBL29187787 0.86 ALOX5 (0.37) ALOX5PTGESTHRBGPR84CPB2
SCHEMBL29187789 0.84 CPB2 (0.38) ALOX5PTGESTHRBGPR84CPB2
SCHEMBL29187788 0.82 CPB2 (0.36) ALOX5PTGESACECPB2
SCHEMBL29187783 0.79 PIK3CA (0.40) THRB
SCHEMBL28639518 0.71 LMNA (0.38) THRBGPR84
SCHEMBL23879492 0.64 CPB2 (0.58) GPR84CPB2
SCHEMBL571313 0.64 CPB2 (0.58) GPR84CPB2
SCHEMBL18531126 0.64 CPB2 (0.58) GPR84CPB2
SCHEMBL3454038 0.64 CPB2 (0.58) GPR84CPB2

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
CN-115052866-B Crystal form of nitrogen-containing heteroaromatic derivative free alkali 上海翰森生物医药科技有限公司 2024-06-25 — — CN disclosed
CN-115353509-B Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-12 — — CN disclosed
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