SCHEMBL17749782

SCHEMBL17749782

CC=CCn1cc(-c2ccc(C(C)(C)O)cc2OC)c2cc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 14/20 1.00
▸ BRD4 O60885 8/20 1.00
▸ BRD7 Q9NPI1 3/20 1.00
▸ BRD2 P25440 2/20 1.00
▸ BRD3 Q15059 2/20 1.00
▸ BRDT Q58F21 2/20 1.00
▸ KAT2A Q92830 2/20 1.00
▸ GABBR2 O75899 1/20 1.00
▸ EP300 Q09472 1/20 1.00
▸ PBRM1 Q86U86 1/20 1.00
▸ CREBBP Q92793 1/20 1.00
▸ GABBR1 Q9UBS5 1/20 1.00
▸ CECR2 Q9BXF3 3/20 0.70
▸ TAF1 P21675 1/20 0.70
▸ ATAD2 Q6PL18 1/20 0.55

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 1.00 BRD9 (1.00) BRD9BRD4BRD7BRD2BRD3
SCHEMBL17749889 1.00 BRD9 (1.00) BRD9BRD4BRD7BRD2BRD3
SCHEMBL17758443 0.88 BRD4 (0.79) BRD9BRD4BRD7BRD2BRD3
SCHEMBL30073297 0.86 BRD9 (1.00) BRD9BRD4BRD7BRD2BRD3
SCHEMBL19640321 0.86 BRD9 (1.00) BRD9BRD4BRD7BRD2BRD3
SCHEMBL17749698 0.85 BRD9 (1.00) BRD9BRD4BRD7BRD2BRD3
SCHEMBL19640343 0.83 BRD9 (1.00) BRD9BRD4BRD7BRD2BRD3
SCHEMBL24363764 0.79 BRD9 (0.79) BRD9BRD4BRD7BRD2BRD3
SCHEMBL24364270 0.79 BRD4 (0.75) BRD9BRD4BRD7BRD2BRD3
SCHEMBL30073548 0.78 BRD9 (0.81) BRD9BRD4BRD7BRD2BRD3

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-3218375-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 — — EP disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
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