SCHEMBL22368752

SCHEMBL22368752

CC#Cc1cccc2c1OCCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 14/20 0.45
BRD4 O60885 11/20 0.42
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
OGA O60502 1/20 0.31

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
SCHEMBL22368946 0.82 CREBBP (0.57) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL19539148 0.79 CREBBP (0.65) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL15964658 0.77 CREBBP (0.55) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL19531721 0.75 CREBBP (0.77) CREBBPBRD4
SCHEMBL27060152 0.75 BRD4 (0.39) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL4484367 0.74 NPC1 (0.41) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL27051273 0.74 CREBBP (0.38) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL17680916 0.69 CREBBP (0.62) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL22368917 0.68 CREBBP (0.62) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL30752987 0.67 CREBBP (0.43) 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 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