SCHEMBL17680686

SCHEMBL17680686

O=C1CCOc2c(cccc2C(=O)Nc2ccccc2)N1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.63
BRD4 O60885 6/20 0.63
KMT2A Q03164 3/20 0.46
SMYD3 Q9H7B4 1/20 0.46
GRM5 P41594 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL17680981 0.88 CREBBP (0.50) CREBBPBRD4KMT2ASMYD3GRM5
SCHEMBL22369200 0.84 CREBBP (0.69) CREBBPBRD4KMT2AGRM5MEN1
SCHEMBL17680684 0.80 CREBBP (0.71) CREBBPBRD4ALDH1A1KDM4ELMNA
SCHEMBL17673284 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680595 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680681 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368804 0.76 CREBBP (0.62) CREBBPBRD4GRM5ALDH1A1
SCHEMBL14541030 0.70 CREBBP (0.41) CREBBPBRD4KMT2AMEN1LMNA
SCHEMBL27060152 0.70 BRD4 (0.39) CREBBPBRD4KMT2AMEN1KDM4E
SCHEMBL15964658 0.69 CREBBP (0.55) CREBBPBRD4ALDH1A1KDM4E

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