SCHEMBL8422345

SCHEMBL8422345

O=S(=O)(Nn1nc(-c2ccc(Cl)cc2)c(C(F)F)c1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.41
ALOX5 P09917 3/20 0.41
NAT1 P18440 1/20 0.39
KDM1A O60341 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AURKA O14965 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MALT1 Q9UDY8 4/20 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
SCHEMBL8423988 0.84 PTGES (0.43) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8421920 0.84 PTGES (0.44) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8421861 0.84 PTGES (0.41) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8423891 0.82 ALDH1A1 (0.43) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8424009 0.82 PTGES (0.43) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8424177 0.82 PTGES (0.43) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8422206 0.81 PTGES (0.42) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8688432 0.81 NAT1 (0.39) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8422280 0.79 PTGES (0.41) PTGESALOX5NAT1KDM1ALMNA
SCHEMBL8421700 0.79 PTGES (0.43) PTGESALOX5KDM1ALMNANPSR1

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