SCHEMBL4751037

SCHEMBL4751037

O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1NS(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
CCKBR P32239 4/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
EPHX2 P34913 3/20 0.45
KDM4E B2RXH2 1/20 0.44
RCE1 Q9Y256 1/20 0.44
CCR2 P41597 1/20 0.44
KCNA5 P22460 1/20 0.43
MAPK1 P28482 1/20 0.43
NLRP1 Q9C000 1/20 0.43
INPPL1 O15357 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 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
SCHEMBL4750451 0.93 CCKBR (0.52) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL4749827 0.90 CCKBR (0.45) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL4750072 0.87 KCNA5 (0.55) MEN1KMT2AHPGDCCKBRCCR2
SCHEMBL3740981 0.82 CCKAR (0.53) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL13011860 0.82 CCKAR (0.53) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL3741167 0.82 CCKAR (0.50) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL3745887 0.79 GRIK1 (0.56) CCKBRCCR2
SCHEMBL3752702 0.78 CCKAR (0.56) LMNAMEN1KMT2AMAPTCCKBR
SCHEMBL1887006 0.77 CCKBR (0.59) CCKBRCCKAR
SCHEMBL4749807 0.77 CCKBR (0.54) MEN1KMT2AALDH1A1CCKBRKDM4E

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