SCHEMBL8420104

SCHEMBL8420104

CS(=O)(=O)c1ccc(-n2nc(OC(=O)c3ccccc3)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.54
ALOX5 P09917 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CHRNA7 P36544 3/20 0.49
PTGS1 P23219 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
RPA1 P27694 1/20 0.47
MAPK9 P45984 1/20 0.47
MALT1 Q9UDY8 1/20 0.47

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
SCHEMBL8420064 0.90 SMN1; SMN2 (0.62) PTGS2SMN1; SMN2CHRNA7PTGS1MAPK9
SCHEMBL8423812 0.82 PTGS2 (0.54) PTGS2SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28190691 0.80 KMT2A (0.62) MEN1KMT2AMAPTPTGS1L3MBTL1
SCHEMBL28191259 0.79 MAPT (0.55) ALOX5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9049040 0.78 PTGS2 (0.67) PTGS2ALOX5SMN1; SMN2PTGS1RPA1
SCHEMBL8422302 0.78 PTGS2 (0.70) PTGS2SMN1; SMN2CHRNA7PTGS1
SCHEMBL8420828 0.78 PTGS2 (0.80) PTGS2ALOX5PTGS1
SCHEMBL8421185 0.78 PTGS2 (0.80) PTGS2ALOX5PTGS1
SCHEMBL3866506 0.78 SMN1; SMN2 (0.82) PTGS2SMN1; SMN2CHRNA7RPA1MALT1
SCHEMBL7156590 0.78 MALT1 (0.58) SMN1; SMN2MEN1KMT2AL3MBTL1RPA1

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