SCHEMBL17758443

SCHEMBL17758443

C/C=C/Cn1cc(-c2ccc(C(C)(C)O)cc2O)c2cc[nH]c2c1=O

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.79
▸ BRD9 Q9H8M2 9/20 0.79
▸ GABBR2 O75899 1/20 0.79
▸ BRD2 P25440 1/20 0.79
▸ EP300 Q09472 1/20 0.79
▸ BRD3 Q15059 1/20 0.79
▸ BRDT Q58F21 1/20 0.79
▸ PBRM1 Q86U86 1/20 0.79
▸ CREBBP Q92793 1/20 0.79
▸ KAT2A Q92830 1/20 0.79
▸ BRD7 Q9NPI1 1/20 0.79
▸ GABBR1 Q9UBS5 1/20 0.79
▸ CECR2 Q9BXF3 5/20 0.76
▸ TAF1 P21675 3/20 0.76

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
SCHEMBL30073326 0.88 BRD9 (1.00) BRD4BRD9GABBR2BRD2EP300
SCHEMBL17749889 0.88 BRD9 (1.00) BRD4BRD9GABBR2BRD2EP300
SCHEMBL17749782 0.88 BRD9 (1.00) BRD4BRD9GABBR2BRD2EP300
SCHEMBL19640343 0.86 BRD9 (1.00) BRD4BRD9GABBR2BRD2EP300
SCHEMBL17749707 0.79 BRD4 (1.00) BRD4BRD9GABBR2BRD2EP300
SCHEMBL17749706 0.79 BRD4 (1.00) BRD4BRD9GABBR2BRD2EP300
SCHEMBL17749827 0.73 CECR2 (1.00) BRD4BRD9BRD2BRD3BRDT
SCHEMBL17749830 0.73 CECR2 (1.00) BRD4BRD9BRD2BRD3BRDT
SCHEMBL19640321 0.73 BRD9 (1.00) BRD4BRD9GABBR2BRD2EP300
SCHEMBL30073297 0.73 BRD9 (1.00) BRD4BRD9GABBR2BRD2EP300

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
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
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