SCHEMBL17680917

SCHEMBL17680917

CCc1cccc(/C=C/c2cccc3c2NCCC(=O)N3)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 16/20 0.48
BRD4 O60885 12/20 0.48
KIF11 P52732 1/20 0.41
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL22368888 0.84 CREBBP (0.66) CREBBPBRD4
SCHEMBL22368597 0.82 CREBBP (0.61) CREBBPBRD4
SCHEMBL22368642 0.81 CREBBP (0.48) CREBBPBRD4
SCHEMBL22369263 0.81 CREBBP (0.48) CREBBPBRD4
SCHEMBL17680925 0.79 CREBBP (0.65) CREBBPBRD4
SCHEMBL22369015 0.78 CREBBP (0.70) CREBBPBRD4LMNASMN1; SMN2CRBN
SCHEMBL17680957 0.78 CREBBP (0.65) CREBBPBRD4SMN1; SMN2
SCHEMBL17680954 0.77 CREBBP (0.67) CREBBPBRD4LMNASMN1; SMN2
SCHEMBL22368776 0.77 CREBBP (0.49) CREBBPBRD4
SCHEMBL19539030 0.76 CREBBP (0.63) CREBBPBRD4LMNASMN1; SMN2

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