SCHEMBL8423401

SCHEMBL8423401

O=S(=O)(Nn1nc(-c2ccc(Cl)cc2)cc1-c1ccsc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.46
MAOA P21397 3/20 0.41
AURKA O14965 1/20 0.39
KAT6A Q92794 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 4/20 0.37
MALT1 Q9UDY8 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
CYP2C19 P33261 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 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
SCHEMBL8421530 0.96 KDM1A (0.43) KDM1AMAOAAURKAKAT6ASMN1; SMN2
SCHEMBL8421776 0.89 KDM1A (0.47) KDM1AMAOAAURKAKAT6ASMN1; SMN2
SCHEMBL8641119 0.87 AURKA (0.46) KDM1AMAOAAURKAKAT6ASMN1; SMN2
SCHEMBL8420906 0.85 KDM1A (0.46) KDM1AMAOAAURKASMN1; SMN2MEN1
SCHEMBL8422366 0.85 KDM1A (0.46) KDM1AMAOAAURKASMN1; SMN2MEN1
SCHEMBL8423764 0.83 MAPT (0.43) KDM1AMAOAAURKASMN1; SMN2MEN1
SCHEMBL8421619 0.83 KMO (0.46) KDM1AMAOAAURKASMN1; SMN2MEN1
SCHEMBL8423817 0.83 MAPT (0.46) KDM1AMAOAAURKASMN1; SMN2MEN1
SCHEMBL8422285 0.83 MAPT (0.43) KDM1AMAOAAURKASMN1; SMN2MEN1
SCHEMBL8424007 0.83 MAPT (0.46) KDM1AMAOAAURKASMN1; SMN2MEN1

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