SCHEMBL22368776

SCHEMBL22368776

Nc1ccc(/C=C/c2cccc3c2NCCC(=O)N3)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 17/20 0.49
BRD4 O60885 13/20 0.49
CA9 Q16790 1/20 0.39
CYP19A1 P11511 1/20 0.38
APP P05067 1/20 0.38
MAPT P10636 1/20 0.38
SNCA P37840 1/20 0.38

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
SCHEMBL22368597 0.88 CREBBP (0.61) CREBBPBRD4MAPT
SCHEMBL17680925 0.87 CREBBP (0.65) CREBBPBRD4
SCHEMBL17680957 0.85 CREBBP (0.65) CREBBPBRD4MAPT
SCHEMBL22369185 0.85 CREBBP (0.67) CREBBPBRD4
SCHEMBL22368624 0.84 CREBBP (0.39) CREBBPBRD4CYP19A1APPMAPT
SCHEMBL17680921 0.84 CREBBP (0.67) CREBBPBRD4APPMAPTSNCA
SCHEMBL22368733 0.80 CREBBP (0.69) CREBBPBRD4MAPT
SCHEMBL22368888 0.80 CREBBP (0.66) CREBBPBRD4
SCHEMBL17680954 0.80 CREBBP (0.67) CREBBPBRD4CYP19A1MAPT
SCHEMBL19539030 0.78 CREBBP (0.63) CREBBPBRD4MAPT

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-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed