SCHEMBL8422347

SCHEMBL8422347

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
CNR1 P21554 12/20 0.38
CNR2 P34972 4/20 0.38
F10 P00742 1/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 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
SCHEMBL8423990 0.85 CNR1 (0.40) PTGS1PTGS2CNR1CNR2F10
SCHEMBL8421921 0.84 CA2 (0.44) PTGS1PTGS2CNR1CNR2CA2
SCHEMBL8423893 0.83 CNR1 (0.41) PTGS1PTGS2CNR1CNR2F10
SCHEMBL8424012 0.82 PTGS1 (0.42) PTGS1PTGS2CNR1CNR2F10
SCHEMBL8424178 0.82 CNR1 (0.47) PTGS1PTGS2CNR1CNR2
SCHEMBL8421862 0.82 PTGS2 (0.44) PTGS1PTGS2CNR1CNR2F10
SCHEMBL8422208 0.81 CNR1 (0.39) PTGS1PTGS2CNR1CNR2F10
SCHEMBL8688434 0.81 CA2 (0.41) PTGS1PTGS2CNR1F10CA2
SCHEMBL8422281 0.80 PTGS1 (0.44) PTGS1PTGS2CNR1CNR2F10
SCHEMBL8421702 0.80 PTGS1 (0.47) PTGS1PTGS2CNR1CNR2F10

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