SCHEMBL17680952

SCHEMBL17680952

C/C(=C\c1cccc2c1NCCC(=O)N2)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 14/20 0.65
BRD4 O60885 13/20 0.65
RAB9A P51151 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL17680942 1.00 CREBBP (0.65) CREBBPBRD4RAB9ANPC1MAPK13
SCHEMBL17680628 0.79 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680696 0.79 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680245 0.79 CREBBP (0.64) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL22368597 0.76 CREBBP (0.61) CREBBPBRD4RAB9ANPC1MAPK13
SCHEMBL22369263 0.75 CREBBP (0.48) CREBBPBRD4
SCHEMBL19539030 0.75 CREBBP (0.63) CREBBPBRD4RAB9AMAPT
SCHEMBL22368600 0.73 CREBBP (0.68) CREBBPBRD4MAPT
SCHEMBL22369183 0.70 CREBBP (0.65) CREBBPBRD4RAB9ANPC1MAPK13
SCHEMBL17680925 0.70 CREBBP (0.65) 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
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed