SCHEMBL828396

SCHEMBL828396

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
AR P10275 7/20 0.39
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CNR2 P34972 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
NPC1 O15118 1/20 0.34
JAK2 O60674 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
AGTR1 P30556 2/20 0.34
AGTR2 P50052 1/20 0.34
KIT P10721 1/20 0.33
C1R P00736 1/20 0.33

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
SCHEMBL827978 0.93 FFAR1 (0.42) FFAR1ARKMT2APDE10APIK3C3
SCHEMBL826935 0.89 FFAR1 (0.44) FFAR1ARKMT2APDE10APIK3C3
SCHEMBL827287 0.89 FFAR1 (0.43) FFAR1ARKMT2APDE10APIK3C3
SCHEMBL828191 0.87 FFAR1 (0.41) FFAR1PDE10APIK3C3KIT
SCHEMBL826952 0.85 FFAR1 (0.46) FFAR1ARKMT2APDE10APIK3C3
SCHEMBL828049 0.85 FFAR1 (0.42) FFAR1ARPDE10APIK3C3KIT
SCHEMBL828012 0.84 FFAR1 (0.38) FFAR1ARPDE10APIK3C3KIT
SCHEMBL828026 0.83 FFAR1 (0.43) FFAR1ARKMT2APDE10APIK3C3
SCHEMBL828548 0.83 FFAR1 (0.42) FFAR1ARKMT2APDE10APIK3C3
SCHEMBL828592 0.83 FFAR1 (0.41) FFAR1ARPDE10APIK3C3C1R

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