SCHEMBL17753890

SCHEMBL17753890

C=CCn1cc(C(=O)N(C)C2CCN(C3C=C(C)N=C(C)N3)CC2)c2cc[nH]c2c1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 20/20 0.65
▸ CECR2 Q9BXF3 20/20 0.65
▸ BRD9 Q9H8M2 18/20 0.65
▸ BRD4 O60885 3/20 0.49

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
SCHEMBL17753732 0.80 TAF1 (0.70) TAF1CECR2BRD9BRD4
Hydrochloric Acid SCHEMBL17749028 0.79 TAF1 (0.69) TAF1CECR2BRD9BRD4
SCHEMBL19652268 0.79 TAF1 (1.00) TAF1CECR2BRD9BRD4
SCHEMBL17753706 0.77 TAF1 (0.84) TAF1CECR2BRD9BRD4
SCHEMBL17753819 0.77 TAF1 (0.94) TAF1CECR2BRD9BRD4
SCHEMBL17753856 0.77 TAF1 (1.00) TAF1CECR2BRD9BRD4
SCHEMBL17753687 0.76 TAF1 (0.74) TAF1CECR2BRD9BRD4
SCHEMBL17753862 0.76 TAF1 (0.76) TAF1CECR2BRD9BRD4
SCHEMBL17753831 0.74 TAF1 (0.80) TAF1CECR2BRD9BRD4
SCHEMBL17754017 0.74 TAF1 (1.00) TAF1CECR2BRD9BRD4

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-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
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