SCHEMBL17749689

SCHEMBL17749689

CC=CCn1cc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)c2cc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 12/20 1.00
▸ CECR2 Q9BXF3 6/20 0.77
▸ TAF1 P21675 4/20 0.74
▸ BRD4 O60885 4/20 0.66
▸ TRIM24 O15164 1/20 0.63
▸ BRD2 P25440 1/20 0.63
▸ SMARCA4 P51532 1/20 0.63
▸ BRD3 Q15059 1/20 0.63
▸ BRDT Q58F21 1/20 0.63
▸ PBRM1 Q86U86 1/20 0.63
▸ TAF1L Q8IZX4 1/20 0.63
▸ BRD7 Q9NPI1 1/20 0.63
▸ BRWD1 Q9NSI6 1/20 0.63

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
SCHEMBL30073209 1.00 BRD9 (1.00) BRD9CECR2TAF1BRD4TRIM24
SCHEMBL17749688 1.00 BRD9 (1.00) BRD9CECR2TAF1BRD4TRIM24
SCHEMBL17758608 0.92 BRD9 (1.00) BRD9CECR2TAF1BRD4TRIM24
SCHEMBL30073396 0.92 BRD9 (1.00) BRD9CECR2TAF1BRD4TRIM24
SCHEMBL17749874 0.87 CECR2 (1.00) BRD9CECR2TAF1BRD4
SCHEMBL17749875 0.87 CECR2 (1.00) BRD9CECR2TAF1BRD4
SCHEMBL30073235 0.87 BRD9 (1.00) BRD9CECR2TAF1BRD4
SCHEMBL17749775 0.87 BRD9 (1.00) BRD9CECR2TAF1BRD4
SCHEMBL17749803 0.87 BRD9 (1.00) BRD9CECR2TAF1BRD4
SCHEMBL29482192 0.86 BRD9 (0.98) BRD9CECR2TAF1BRD4

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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