SCHEMBL6263704

SCHEMBL6263704

COc1cc2cc(C#N)ccc2n1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 14/20 0.42
▸ BRD1 O95696 9/20 0.42
▸ BRPF3 Q9ULD4 8/20 0.42
▸ BRD9 Q9H8M2 6/20 0.42
▸ BRD4 O60885 4/20 0.42
▸ BRD7 Q9NPI1 2/20 0.42
▸ TRIM24 O15164 1/20 0.42
▸ ENPP3 O14638 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ HTR6 P50406 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ AR P10275 1/20 0.36

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
SCHEMBL10053515 0.77 BRPF1 (0.45) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL11688507 0.76 MAOA (0.53) HPGDS
SCHEMBL28265765 0.76 ENPP3 (0.42) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL27969722 0.76 ENPP3 (0.42) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL9226534 0.74 L3MBTL1 (0.65) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL27896908 0.74 BRPF1 (0.53) BRPF1
SCHEMBL10022422 0.73 BRPF1 (0.43) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL1338266 0.73 CDC7 (0.40) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL10066950 0.73 CYP2A6 (0.44) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL1113031 0.72 XDH (0.41) BRPF1BRD1BRPF3BRD9BRD4

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-1537119-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-08 — — EP disclosed
WO-2004024730-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 — — WO disclosed
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