SCHEMBL8420734

SCHEMBL8420734

O=S(=O)(Nn1nc(-c2cccc(F)c2)cc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.43
KAT6A Q92794 3/20 0.42
KDM1A O60341 3/20 0.39
MAOA P21397 1/20 0.39
AURKA O14965 1/20 0.39
PGR P06401 2/20 0.39
CXCR3 P49682 1/20 0.37
MAP2K4 P45985 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 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
SCHEMBL8421953 0.96 MALT1 (0.43) MALT1KAT6AKDM1AMAOAAURKA
SCHEMBL8420739 0.91 MALT1 (0.40) MALT1KAT6AKDM1AMAOAAURKA
SCHEMBL8420103 0.90 PTGS2 (0.45) MALT1KAT6AKDM1AMAOAAURKA
SCHEMBL8420731 0.90 KDM1A (0.43) MALT1KDM1AMAOAAURKACYP1A2
SCHEMBL8422266 0.90 KDM1A (0.43) MALT1KDM1AMAOAAURKACYP1A2
SCHEMBL8641119 0.90 AURKA (0.46) MALT1KAT6AKDM1AMAOAAURKA
SCHEMBL8422378 0.89 KDM1A (0.40) MALT1KAT6AKDM1AMAOAAURKA
SCHEMBL8421776 0.89 KDM1A (0.47) MALT1KAT6AKDM1AMAOAAURKA
SCHEMBL8423597 0.87 KAT6A (0.42) MALT1KAT6AKDM1AMAOAAURKA
SCHEMBL8421734 0.87 KDM1A (0.43) MALT1KAT6AKDM1AMAOAAURKA

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