SCHEMBL7258222

SCHEMBL7258222

CC(Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl)C(=O)NS(=O)(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7252993 0.91 SMN1; SMN2 (0.38) SCN9ASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL7258218 0.85 KMT2A (0.39) SMN1; SMN2ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL7252990 0.83 KMT2A (0.39) SCN9ASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL7253101 0.83 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL17962150 0.78 KMT2A (0.41) SCN9ASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL7676064 0.77 PTGDR2 (0.42) SMN1; SMN2ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL7676069 0.77 PTGDR2 (0.42) SMN1; SMN2ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL4064134 0.77 SCN9A (0.45) SCN9ASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL17962153 0.76 MAPK1 (0.50) SMN1; SMN2ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL23673696 0.75 MAPK1 (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EMAPK1

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-2003029226-A1 HETEROCYCLYL SUBSTITUTED PHENOXYALKYL-, PHENYLTHIOALKYL-, PHENYLAMINOALKYL- AND PHENYLALKYL-SULFAMOYLCARBOXAMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed