SCHEMBL828213

SCHEMBL828213

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
PDE10A Q9Y233 1/20 0.38
AR P10275 6/20 0.37
PIK3C3 Q8NEB9 2/20 0.36
KIT P10721 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
C1R P00736 1/20 0.33
APAF1 O14727 1/20 0.33
CASP3 P42574 1/20 0.33
CASP6 P55212 1/20 0.33
SENP8 Q96LD8 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
SCHEMBL826935 0.91 FFAR1 (0.44) FFAR1PDE10AARPIK3C3KIT
SCHEMBL827978 0.85 FFAR1 (0.42) FFAR1PDE10AARPIK3C3KIT
SCHEMBL826952 0.83 FFAR1 (0.46) FFAR1PDE10AARPIK3C3KIT
SCHEMBL828396 0.83 FFAR1 (0.41) FFAR1PDE10AARPIK3C3KIT
SCHEMBL828049 0.82 FFAR1 (0.42) FFAR1PDE10AARPIK3C3KIT
SCHEMBL827287 0.82 FFAR1 (0.43) FFAR1PDE10AARPIK3C3KIT
SCHEMBL828026 0.81 FFAR1 (0.43) FFAR1PDE10AARPIK3C3KIT
SCHEMBL828191 0.81 FFAR1 (0.41) FFAR1PDE10APIK3C3KITKDM4E
SCHEMBL828548 0.80 FFAR1 (0.42) FFAR1PDE10AARPIK3C3KIT
SCHEMBL824720 0.80 LMNA (0.41) FFAR1PDE10AARPIK3C3KIT

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