SCHEMBL8424030

SCHEMBL8424030

O=S(=O)(Nn1nc(-c2ccc(F)cc2F)cc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
MALT1 Q9UDY8 7/20 0.39
KDM1A O60341 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 3/20 0.37
KAT6A Q92794 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KIT P10721 1/20 0.36
NAT1 P18440 1/20 0.36
MCL1 Q07820 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
SCHEMBL8420855 0.93 KDM1A (0.40) ALOX5APFEN1MALT1KDM1APTGES2
SCHEMBL8422278 0.93 MALT1 (0.38) MALT1KDM1AALDH1A1CYP3A4MAPT
SCHEMBL8424102 0.88 KDM1A (0.40) MALT1KDM1AMAPTSMN1; SMN2KIT
SCHEMBL8422266 0.88 KDM1A (0.43) MALT1KDM1ACYP3A4MAPTSMN1; SMN2
SCHEMBL8420731 0.88 KDM1A (0.43) MALT1KDM1ACYP3A4MAPTSMN1; SMN2
SCHEMBL8421767 0.87 MALT1 (0.39) MALT1KDM1AALDH1A1CYP3A4MAPT
SCHEMBL8420714 0.87 TP53 (0.44) KDM1A
SCHEMBL8421839 0.87 PTGS2 (0.42) ALOX5APFEN1MALT1KDM1AALDH1A1
SCHEMBL8420734 0.85 MALT1 (0.43) MALT1KDM1ACYP3A4MAPTKAT6A
SCHEMBL8420739 0.85 MALT1 (0.40) MALT1KDM1AMAPTKAT6ANAT1

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