SCHEMBL826952

SCHEMBL826952

O=C(O)N(Cc1ccccc1)c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
AR P10275 2/20 0.41
PDE10A Q9Y233 1/20 0.40
TNKS O95271 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.36
C1R P00736 1/20 0.36
KMO O15229 1/20 0.34
FABP4 P15090 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
KIT P10721 1/20 0.34
TYMS P04818 2/20 0.34

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
SCHEMBL828701 0.91 AR (0.42) FFAR1ARPDE10ATNKSPIK3C3
SCHEMBL826935 0.90 FFAR1 (0.44) FFAR1ARPDE10ATNKSPIK3C3
SCHEMBL827287 0.89 FFAR1 (0.43) FFAR1ARPDE10ATNKSPIK3C3
SCHEMBL827978 0.88 FFAR1 (0.42) FFAR1ARPDE10ATNKSPIK3C3
SCHEMBL828049 0.87 FFAR1 (0.42) FFAR1ARPDE10ATNKSPIK3C3
SCHEMBL828548 0.87 FFAR1 (0.42) FFAR1ARPDE10ATNKSPIK3C3
SCHEMBL828592 0.87 FFAR1 (0.41) FFAR1ARPDE10ATNKSPIK3C3
SCHEMBL828396 0.85 FFAR1 (0.41) FFAR1ARPDE10APIK3C3C1R
SCHEMBL828026 0.85 FFAR1 (0.43) FFAR1ARPDE10ATNKSPIK3C3
SCHEMBL828030 0.85 FFAR1 (0.41) FFAR1ARPDE10ATNKSPIK3C3

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
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed