SCHEMBL828548

SCHEMBL828548

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PDE10A Q9Y233 1/20 0.39
RAB9A P51151 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
C1R P00736 1/20 0.34
AR P10275 2/20 0.34
KIT P10721 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
KMO O15229 1/20 0.32
DHFR P00374 1/20 0.32
TSHR P16473 1/20 0.31
TNKS O95271 1/20 0.31
AKR1B1 P15121 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL826952 0.87 FFAR1 (0.46) FFAR1PDE10APIK3C3C1RAR
SCHEMBL826935 0.87 FFAR1 (0.44) FFAR1PDE10APIK3C3C1RAR
SCHEMBL827287 0.86 FFAR1 (0.43) FFAR1PDE10APIK3C3C1RAR
SCHEMBL827978 0.85 FFAR1 (0.42) FFAR1PDE10APIK3C3C1RAR
SCHEMBL828049 0.85 FFAR1 (0.42) FFAR1PDE10APIK3C3C1RAR
SCHEMBL828190 0.83 FFAR1 (0.39) FFAR1PDE10APIK3C3ARKDM4E
SCHEMBL828030 0.83 FFAR1 (0.41) FFAR1PDE10APIK3C3C1RAR
SCHEMBL828396 0.83 FFAR1 (0.41) FFAR1PDE10ARAB9APIK3C3C1R
SCHEMBL828026 0.83 FFAR1 (0.43) FFAR1PDE10APIK3C3C1RAR
SCHEMBL828191 0.83 FFAR1 (0.41) FFAR1PDE10APIK3C3KITKDM4E

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