SCHEMBL17680969

SCHEMBL17680969

C=C1C[C@@H](C)Nc2cc(OCc3ccccc3)ccc2N1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.74
BRD4 O60885 6/20 0.47
MAOA P21397 6/20 0.45
MAOB P27338 6/20 0.45
HRH3 Q9Y5N1 1/20 0.42
ALOX5 P09917 1/20 0.41
HIF1A Q16665 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17680752 0.85 CREBBP (1.00) CREBBPBRD4MAOAMAOB
SCHEMBL4911648 0.85 CREBBP (1.00) CREBBPBRD4MAOAMAOB
SCHEMBL28923896 0.81 CREBBP (0.67) CREBBPBRD4MAOAMAOBHRH3
SCHEMBL31444075 0.81 CREBBP (0.67) CREBBPBRD4MAOAMAOBHRH3
SCHEMBL4912276 0.79 CREBBP (0.65) CREBBPBRD4MAOAMAOBHRH3
SCHEMBL22368676 0.77 MAOB (0.52) CREBBPMAOAMAOBHRH3ALOX5
SCHEMBL26547707 0.76 MAOB (0.55) CREBBPMAOAMAOBHRH3ALOX5
SCHEMBL17680931 0.73 CREBBP (0.62) CREBBPBRD4RAB9A
SCHEMBL17680929 0.73 CREBBP (0.62) CREBBPBRD4RAB9A
SCHEMBL11515721 0.69 CREBBP (0.53) CREBBPMAOAMAOBHRH3ALOX5

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