SCHEMBL24364270

SCHEMBL24364270

C/C=C/Cn1cc(-c2cc(C)ccc2OC)c2cc[nH]c2c1=O

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.75
▸ BRD9 Q9H8M2 10/20 0.71
▸ CECR2 Q9BXF3 3/20 0.68
▸ BRD7 Q9NPI1 2/20 0.65
▸ GABBR2 O75899 1/20 0.65
▸ BRD2 P25440 1/20 0.65
▸ EP300 Q09472 1/20 0.65
▸ BRD3 Q15059 1/20 0.65
▸ BRDT Q58F21 1/20 0.65
▸ PBRM1 Q86U86 1/20 0.65
▸ CREBBP Q92793 1/20 0.65
▸ KAT2A Q92830 1/20 0.65
▸ GABBR1 Q9UBS5 1/20 0.65

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
SCHEMBL17749852 0.86 BRD4 (1.00) BRD4BRD9CECR2BRD7GABBR2
SCHEMBL30073548 0.86 BRD9 (0.81) BRD4BRD9CECR2BRD7GABBR2
SCHEMBL17749866 0.86 BRD9 (0.81) BRD4BRD9CECR2BRD7GABBR2
SCHEMBL17749851 0.86 BRD4 (1.00) BRD4BRD9CECR2BRD7GABBR2
SCHEMBL17749895 0.86 BRD9 (0.81) BRD4BRD9CECR2BRD7GABBR2
SCHEMBL17749822 0.83 BRD9 (1.00) BRD4BRD9CECR2
SCHEMBL17749791 0.83 BRD9 (1.00) BRD4BRD9CECR2BRD7GABBR2
SCHEMBL17749825 0.83 BRD9 (1.00) BRD4BRD9CECR2
SCHEMBL30073244 0.83 BRD9 (1.00) BRD4BRD9CECR2BRD7GABBR2
SCHEMBL30073216 0.83 BRD9 (1.00) BRD4BRD9CECR2

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
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 — — EP disclosed
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