SCHEMBL17680977

SCHEMBL17680977

CC[C@@H](NC(=O)c1cccc2c1NCCC(=O)N2)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.68
BRD4 O60885 2/20 0.68
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KCNA5 P22460 11/20 0.49
KCNK3 O14649 2/20 0.44

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
SCHEMBL22368720 0.89 CREBBP (0.71) CREBBPBRD4KDM4EALDH1A1LMNA
SCHEMBL17680982 0.85 CREBBP (0.64) CREBBPBRD4ALDH1A1
SCHEMBL22360964 0.81 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680765 0.81 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368935 0.78 CREBBP (0.76) CREBBPBRD4KDM4EALDH1A1LMNA
SCHEMBL22368804 0.77 CREBBP (0.62) CREBBPBRD4ALDH1A1
SCHEMBL17680903 0.72 CREBBP (0.64) CREBBPBRD4ALDH1A1TSHR
SCHEMBL17680894 0.70 CREBBP (0.70) CREBBPBRD4KCNK3
SCHEMBL22368923 0.70 CREBBP (0.43) CREBBPBRD4
SCHEMBL22368638 0.70 CREBBP (0.67) CREBBPBRD4ALDH1A1LMNA

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