SCHEMBL1382499

SCHEMBL1382499

CC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.50
CCKAR P32238 5/20 0.49
KCNA5 P22460 1/20 0.47
LMNA P02545 2/20 0.44
ESR1 P03372 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.41
NTSR1 P30989 1/20 0.41

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
SCHEMBL1884675 0.94 CCKBR (0.57) CCKBRCCKARLMNAESR1KMT2A
SCHEMBL1884672 0.94 CCKBR (0.57) CCKBRCCKARLMNAESR1KMT2A
SCHEMBL31616335 0.90 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1885769 0.90 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1889841 0.90 CCKBR (0.53) CCKBRCCKARLMNAESR1
SCHEMBL31618389 0.90 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1889837 0.90 CCKBR (0.53) CCKBRCCKARLMNAESR1
SCHEMBL1885772 0.90 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1886233 0.90 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1886229 0.90 CCKBR (0.61) CCKBRCCKAR

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
JP-4818110-B2 2011-11-16 JP claimed