SCHEMBL17680901

SCHEMBL17680901

COc1cccc(NC(=O)c2cccc3c2NCCC(=O)N3)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.68
BRD4 O60885 9/20 0.68
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
GRM5 P41594 1/20 0.50
MAOB P27338 1/20 0.48

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
SCHEMBL22368638 0.89 CREBBP (0.67) CREBBPBRD4NPC1RAB9AKMT2A
SCHEMBL17680894 0.89 CREBBP (0.70) CREBBPBRD4SMN1; SMN2KMT2A
SCHEMBL22368804 0.84 CREBBP (0.62) CREBBPBRD4GRM5
SCHEMBL17680804 0.81 CREBBP (1.00) CREBBPBRD4
SCHEMBL22369208 0.80 CREBBP (0.71) CREBBPBRD4
SCHEMBL22368980 0.78 CREBBP (0.76) CREBBPBRD4
SCHEMBL22369095 0.77 CREBBP (0.67) CREBBPBRD4
SCHEMBL17680618 0.72 CREBBP (1.00) CREBBPBRD4
SCHEMBL19531743 0.72 CREBBP (1.00) CREBBPBRD4
SCHEMBL22369200 0.71 CREBBP (0.69) CREBBPBRD4NPC1RAB9AKMT2A

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-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed