SCHEMBL8424012

SCHEMBL8424012

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.42
PTGS2 P35354 6/20 0.42
CNR1 P21554 7/20 0.41
CNR2 P34972 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.38
PTGER1 P34995 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
F10 P00742 1/20 0.37
LMNA P02545 1/20 0.37

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 0.88 CA2 (0.44) PTGS1PTGS2CNR1CNR2CA2
SCHEMBL8423893 0.86 CNR1 (0.41) PTGS1PTGS2CNR1CNR2CA2
SCHEMBL8424178 0.85 CNR1 (0.47) PTGS1PTGS2CNR1CNR2
SCHEMBL8423990 0.85 CNR1 (0.40) PTGS1PTGS2CNR1CNR2CA2
SCHEMBL8422208 0.84 CNR1 (0.39) PTGS1PTGS2CNR1CNR2CA2
SCHEMBL8688434 0.84 CA2 (0.41) PTGS1PTGS2CNR1CA2CA7
SCHEMBL8422347 0.82 PTGS1 (0.39) PTGS1PTGS2CNR1CNR2CA2
SCHEMBL8422281 0.82 PTGS1 (0.44) PTGS1PTGS2CNR1CNR2CA2
SCHEMBL8421702 0.82 PTGS1 (0.47) PTGS1PTGS2CNR1CNR2F10
SCHEMBL8421862 0.82 PTGS2 (0.44) PTGS1PTGS2CNR1CNR2PTGER1

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