SCHEMBL8423760

SCHEMBL8423760

NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1c(F)cc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.43
PTGS1 P23219 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 3/20 0.38
CA7 P43166 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRNA7 P36544 1/20 0.37
CA1 P00915 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
MMP2 P08253 2/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL8422914 0.93 PTGS2 (0.44) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL8421770 0.92 PTGS2 (0.43) PTGS2PTGS1CA2CA7CYP2C9
SCHEMBL8420732 0.88 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL8422268 0.88 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL8420856 0.88 PTGS2 (0.42) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL8420740 0.87 PTGS2 (0.47) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL8421658 0.87 PTGS2 (0.47) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL8422318 0.87 PTGS2 (0.49) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL8421778 0.86 PTGS2 (0.56) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL8424105 0.86 PTGS2 (0.43) PTGS2PTGS1MEN1KMT2AKDM4E

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
US-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 US disclosed