SCHEMBL8422378

SCHEMBL8422378

O=S(=O)(Nn1nc(-c2ccc(F)c(F)c2)cc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
MALT1 Q9UDY8 2/20 0.40
KAT6A Q92794 2/20 0.38
AURKA O14965 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGS2 P35354 2/20 0.36
NAT1 P18440 1/20 0.36
KMO O15229 1/20 0.36
MAOA P21397 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 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
SCHEMBL8421656 0.95 KDM1A (0.42) KDM1AMALT1KAT6AAURKAPTGS2
SCHEMBL8421776 0.91 KDM1A (0.47) KDM1AMALT1KAT6AAURKAPTGS2
SCHEMBL8420731 0.90 KDM1A (0.43) KDM1AMALT1AURKAPTGS2MAOA
SCHEMBL8422266 0.90 KDM1A (0.43) KDM1AMALT1AURKAPTGS2MAOA
SCHEMBL8641119 0.89 AURKA (0.46) KDM1AMALT1KAT6AAURKAPTGS2
SCHEMBL8420734 0.89 MALT1 (0.43) KDM1AMALT1KAT6AAURKAMAOA
SCHEMBL8420739 0.89 MALT1 (0.40) KDM1AMALT1KAT6AAURKAPTGS2
SCHEMBL8421082 0.88 MALT1 (0.39) KDM1AMALT1KAT6AAURKANAT1
SCHEMBL8423817 0.87 MAPT (0.46) KDM1AMALT1AURKAPTGS2MAOA
SCHEMBL8424007 0.87 MAPT (0.46) KDM1AMALT1AURKAPTGS2MAOA

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