SCHEMBL17680933

SCHEMBL17680933

C=C1C[C@@H](CC)Nc2ccccc2N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.66
BRD4 O60885 4/20 0.66
EP300 Q09472 1/20 0.45
BRPF1 P55201 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.33
NOS2 P35228 1/20 0.33
MTNR1A P48039 3/20 0.32
ADRA2A P08913 1/20 0.32
PNMT P11086 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL17680931 0.80 CREBBP (0.62) CREBBPBRD4EP300BRPF1GAA
SCHEMBL17680929 0.80 CREBBP (0.62) CREBBPBRD4EP300BRPF1GAA
SCHEMBL17680224 0.79 CREBBP (1.00) CREBBPBRD4EP300BRPF1
SCHEMBL4907068 0.79 CREBBP (1.00) CREBBPBRD4EP300BRPF1
SCHEMBL549073 0.74 CREBBP (0.59) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL22955423 0.74 CREBBP (0.59) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL29898373 0.71 CREBBP (0.54) CREBBPBRD4EP300BRPF1GAA
SCHEMBL29004246 0.71 CREBBP (0.54) CREBBPBRD4EP300BRPF1GAA
SCHEMBL5805634 0.71 CREBBP (0.54) CREBBPBRD4EP300BRPF1GAA
SCHEMBL15507913 0.71 CREBBP (0.54) CREBBPBRD4EP300BRPF1GAA

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
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-20150147457-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2015-05-28 US disclosed