SCHEMBL22369015

SCHEMBL22369015

CC(=O)Nc1cccc(/C=C/c2cccc3c2NCCC(=O)N3)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 14/20 0.70
BRD4 O60885 12/20 0.70
BRD2 P25440 1/20 0.45
CRBN Q96SW2 2/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL22368733 0.89 CREBBP (0.69) CREBBPBRD4BRD2CRBNNPC1
SCHEMBL17680617 0.82 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368600 0.82 CREBBP (0.68) CREBBPBRD4CRBNGAAMAPT
SCHEMBL22368888 0.81 CREBBP (0.66) CREBBPBRD4
SCHEMBL22369263 0.79 CREBBP (0.48) CREBBPBRD4
SCHEMBL22368597 0.79 CREBBP (0.61) CREBBPBRD4NPC1MAPTRAB9A
SCHEMBL22368642 0.78 CREBBP (0.48) CREBBPBRD4
SCHEMBL17680917 0.78 CREBBP (0.48) CREBBPBRD4CRBNLMNASMN1; SMN2
SCHEMBL22369321 0.77 CREBBP (0.59) CREBBPBRD4NPC1LMNATP53
SCHEMBL17680925 0.76 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
US-9453027-B2 Deuterium-enriched pyridinonecarboxamides and derivatives DHANOA DALJIT SINGH (US) 2016-09-27 US disclosed