SCHEMBL4750072

SCHEMBL4750072

O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1NS(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.55
CCKBR P32239 5/20 0.55
CCKAR P32238 5/20 0.49
TUBB P07437 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CCR2 P41597 1/20 0.45
MT-CO2 P00403 1/20 0.45
POLA1 P09884 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH2 P05091 1/20 0.44

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
SCHEMBL4751037 0.87 LMNA (0.49) KCNA5CCKBRCCKARHPGDCCR2
SCHEMBL4749827 0.85 CCKBR (0.45) KCNA5CCKBRCCKARHPGDCCR2
SCHEMBL3752702 0.83 CCKAR (0.56) CCKBRCCKARMEN1KMT2A
SCHEMBL3745887 0.81 GRIK1 (0.56) CCKBRCCR2
SCHEMBL4750451 0.81 CCKBR (0.52) KCNA5CCKBRCCKARHPGDMEN1
SCHEMBL3741167 0.79 CCKAR (0.50) CCKBRCCKARHPGDCCR2MEN1
SCHEMBL3739784 0.76 CCKAR (0.66) CCKBRCCKAR
SCHEMBL3739788 0.76 CCKAR (0.66) CCKBRCCKAR
SCHEMBL3755955 0.76 CCKAR (0.56) KCNA5CCKBRCCKAR
SCHEMBL3745925 0.76 CCKAR (0.66) 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
WO-2008124524-A2 ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO claimed