SCHEMBL17680926

SCHEMBL17680926

C=C(C)Nc1ccc(/C=C/c2cccc3c2N[C@H](C)CC(=O)N3)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 19/20 0.83
BRD4 O60885 16/20 0.70

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
SCHEMBL17673203 0.91 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680797 0.82 CREBBP (1.00) CREBBPBRD4
SCHEMBL17673152 0.82 CREBBP (1.00) CREBBPBRD4
SCHEMBL19518311 0.82 CREBBP (1.00) CREBBPBRD4
SCHEMBL17673299 0.82 CREBBP (0.80) CREBBPBRD4
SCHEMBL19518206 0.82 CREBBP (0.80) CREBBPBRD4
SCHEMBL17680617 0.81 CREBBP (1.00) CREBBPBRD4
SCHEMBL17673211 0.80 CREBBP (0.74) CREBBPBRD4
SCHEMBL17680840 0.80 CREBBP (0.74) CREBBPBRD4
SCHEMBL17680611 0.80 CREBBP (1.00) CREBBPBRD4

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
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-20150147457-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2015-05-28 US disclosed