SCHEMBL20924336

SCHEMBL20924336

C=Cc1c(/C=C\C)cc(-c2ccn(CC)c(=O)c2)n1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.52
▸ MDM2 Q00987 10/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ MDM4 O15151 3/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL20924334 0.72 AOC3 (0.73) AOC3MDM2KCNH2PIK3CDPIK3CA
SCHEMBL20924456 0.70 ALDH1A1 (0.34) MDM2KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL16053697 0.69 AOC3 (1.00) AOC3KCNH2CYP1A2CYP3A4GAA
SCHEMBL14463968 0.65 — —
SCHEMBL20924339 0.62 — —
SCHEMBL23505897 0.61 AOC3 (0.42) AOC3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL24569275 0.60 PIK3CD (0.38) AOC3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL4531549 0.59 HIF1A (0.44) AOC3GAAKDM4EALDH1A1
SCHEMBL20924531 0.59 AOC3 (0.56) AOC3KCNH2PIK3CAKDM4EALDH1A1
SCHEMBL22997255 0.58 GABRA2 (0.37) AOC3KCNH2GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970260-B1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-04-24 — — EP disclosed
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