SCHEMBL1381729

SCHEMBL1381729

CC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.52
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CCKBR P32239 6/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CCKAR P32238 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL1383530 0.92 KCNA5 (0.60) KCNA5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1383252 0.91 KCNA5 (0.52) KCNA5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5072762 0.89 KCNA5 (0.67) KCNA5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1887170 0.88 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1886091 0.88 CCKBR (0.56) CCKBRCCKAR
SCHEMBL1886095 0.88 CCKBR (0.56) CCKBRCCKAR
SCHEMBL1891408 0.88 CCKBR (0.62) CCKBRCCKAR
SCHEMBL1887167 0.88 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1891403 0.88 CCKBR (0.62) CCKBRCCKAR
SCHEMBL1382499 0.87 CCKBR (0.50) KCNA5KDM4EALDH1A1HPGDHSD17B10

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