SCHEMBL8420775

SCHEMBL8420775

CS(=O)(=O)Nc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.41
CNR2 P34972 4/20 0.41
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
F10 P00742 1/20 0.38
KIF11 P52732 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRA2A P08913 1/20 0.36
AGTR1 P30556 1/20 0.36
GLP1R P43220 1/20 0.36
CX3CR1 P49238 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ADGRF1 Q5T601 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL8424178 0.83 CNR1 (0.47) CNR1CNR2PTGS2PTGS1
SCHEMBL8421921 0.83 CA2 (0.44) CNR1CNR2PTGS2PTGS1
SCHEMBL8421702 0.82 PTGS1 (0.47) CNR1CNR2PTGS2PTGS1F10
SCHEMBL8423893 0.82 CNR1 (0.41) CNR1CNR2PTGS2PTGS1F10
SCHEMBL8424012 0.81 PTGS1 (0.42) CNR1CNR2PTGS2PTGS1F10
SCHEMBL8423990 0.81 CNR1 (0.40) CNR1CNR2PTGS2PTGS1F10
SCHEMBL8420759 0.80 KDM4E (0.46) CNR1CNR2PTGS2PTGS1F10
SCHEMBL8125573 0.80 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8422208 0.80 CNR1 (0.39) CNR1CNR2PTGS2PTGS1F10
SCHEMBL8420780 0.79 CHRNA7 (0.40) CNR1CNR2PTGS2PTGS1

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