SCHEMBL8420780

SCHEMBL8420780

CC(=O)c1c(-c2ccc(Cl)cc2)nn(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 4/20 0.39
CNR2 P34972 3/20 0.39
PTGS2 P35354 4/20 0.39
PTGS1 P23219 3/20 0.39
KDR P35968 2/20 0.39
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCQ Q04759 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CA2 P00918 2/20 0.39

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 0.84 CNR1 (0.47) CNR1CNR2PTGS2PTGS1
SCHEMBL8421921 0.83 CA2 (0.44) CNR1CNR2PTGS2PTGS1CA2
SCHEMBL8423893 0.82 CNR1 (0.41) CNR1CNR2PTGS2PTGS1CA2
SCHEMBL8424012 0.81 PTGS1 (0.42) CNR1CNR2PTGS2PTGS1CA2
SCHEMBL8423990 0.81 CNR1 (0.40) CNR1CNR2PTGS2PTGS1CA2
SCHEMBL8420759 0.81 KDM4E (0.46) KMT2ACNR1CNR2PTGS2PTGS1
SCHEMBL8421702 0.81 PTGS1 (0.47) CNR1CNR2PTGS2PTGS1
SCHEMBL8422208 0.81 CNR1 (0.39) CNR1CNR2PTGS2PTGS1CA2
SCHEMBL8123088 0.80 PTGS2 (0.61) CHRNA7PTGS2PTGS1CA2CA9
SCHEMBL8420775 0.79 CNR1 (0.41) 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