SCHEMBL8422208

SCHEMBL8422208

NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)c(C=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.39
CNR2 P34972 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PTGS2 P35354 6/20 0.37
PTGS1 P23219 5/20 0.37
F10 P00742 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 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
SCHEMBL8421921 0.86 CA2 (0.44) CNR1CNR2CA2CA7CA12
SCHEMBL8423893 0.85 CNR1 (0.41) CNR1CNR2CA2CA7CA12
SCHEMBL8424178 0.84 CNR1 (0.47) CNR1CNR2PTGS2PTGS1
SCHEMBL8423990 0.84 CNR1 (0.40) CNR1CNR2CA2CA7CA12
SCHEMBL8424012 0.84 PTGS1 (0.42) CNR1CNR2CA2CA7CA12
SCHEMBL8422347 0.81 PTGS1 (0.39) CNR1CNR2CA2CA7CA12
SCHEMBL8421702 0.81 PTGS1 (0.47) CNR1CNR2PTGS2PTGS1F10
SCHEMBL8422281 0.81 PTGS1 (0.44) CNR1CNR2CA2CA7CA12
SCHEMBL8421862 0.81 PTGS2 (0.44) CNR1CNR2PTGS2PTGS1F10
SCHEMBL8420780 0.81 CHRNA7 (0.40) CNR1CNR2CA2CA7CA9

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