SCHEMBL1382891

SCHEMBL1382891

O=C(NCc1ccc(F)cc1F)c1ccccc1NS(=O)(=O)c1cccc2nccnc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.54
CCKBR P32239 7/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.50
CCKAR P32238 4/20 0.46
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43
PKLR P30613 2/20 0.43
KCNA5 P22460 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 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
SCHEMBL1384714 0.91 KDM4E (0.52) KDM4EALDH1A1CCKBRKMT2AMEN1
SCHEMBL1889700 0.90 CCKBR (0.58) CCKBRCCKAR
SCHEMBL1884936 0.90 CCKBR (0.59) KDM4ECCKBRCCKAR
SCHEMBL4688617 0.90 CCKBR (0.55) KDM4EALDH1A1CCKBRCCKARLMNA
SCHEMBL3899664 0.86 L3MBTL1 (0.60) KDM4ECCKBRKMT2AMEN1CCKAR
SCHEMBL1382888 0.84 CCKBR (0.54) KDM4EALDH1A1CCKBRCCKARTSHR
SCHEMBL1896151 0.82 CCKBR (0.58) CCKBRCCKAR
SCHEMBL1889522 0.81 CCKBR (0.59) CCKBRCCKAR
SCHEMBL1385714 0.81 CCKBR (0.51) KDM4EALDH1A1CCKBRKMT2AMEN1
SCHEMBL1382499 0.80 CCKBR (0.50) KDM4EALDH1A1CCKBRKMT2AMEN1

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