SCHEMBL28078641

SCHEMBL28078641

N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)c(C#N)c3)c(C3C4CC5CC(C4)CC3C5)c2)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
PDE4B Q07343 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ESRRA P11474 2/20 0.38
AR P10275 8/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
EPAS1 Q99814 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL16046464 0.84 AR (0.39) CYP19A1PDE4BALDH1A1HPGDESRRA
SCHEMBL28078783 0.80 ALDH1A1 (0.43) ALDH1A1HPGDMAOBNPC1RAB9A
SCHEMBL28078771 0.74 POLB (0.44) ALDH1A1
SCHEMBL29390509 0.73 CYP19A1 (0.65) CYP19A1PDE4BALDH1A1HPGDAR
SCHEMBL4581525 0.73 CYP19A1 (0.65) CYP19A1PDE4BALDH1A1HPGDAR
SCHEMBL16046461 0.73 PDE4B (0.42) CYP19A1PDE4BALDH1A1HPGDESRRA
SCHEMBL9472016 0.72 CYP19A1 (0.62) CYP19A1PDE4BALDH1A1HPGDAR
SCHEMBL1377229 0.72 CYP19A1 (0.62) CYP19A1PDE4BALDH1A1HPGDAR
SCHEMBL18170274 0.70 CYP19A1 (0.61) CYP19A1PDE4BALDH1A1HPGDAR
SCHEMBL1940627 0.69 AR (0.57) CYP19A1ALDH1A1HPGDARNPSR1

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
CN-104004187-B Polyimide having side chain group and method for producing same 欣兴电子股份有限公司 2016-06-08 CN disclosed