SCHEMBL8422206

SCHEMBL8422206

O=Cc1c(-c2ccc(Cl)cc2)nn(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.42
ALOX5 P09917 4/20 0.42
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
KDM1A O60341 1/20 0.39
NAT1 P18440 1/20 0.38
ALDH1A1 P00352 2/20 0.38
AURKA O14965 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MALT1 Q9UDY8 3/20 0.36
GAA P10253 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
SCHEMBL8421920 0.86 PTGES (0.44) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8424009 0.84 PTGES (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8423988 0.84 PTGES (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8424177 0.84 PTGES (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8423891 0.84 ALDH1A1 (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8420777 0.82 PTGES (0.44) PTGESALOX5LMNAL3MBTL1KMT2A
SCHEMBL8422280 0.81 PTGES (0.41) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8421700 0.81 PTGES (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8421861 0.81 PTGES (0.41) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8422345 0.81 PTGES (0.41) PTGESALOX5NPSR1LMNAKDM1A

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