SCHEMBL8424102

SCHEMBL8424102

O=S(=O)(Nn1nc(-c2ccc(Cl)cc2)cc1-c1cc(F)ccc1F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.40
AURKA O14965 1/20 0.39
MALT1 Q9UDY8 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KIT P10721 1/20 0.37
NAT1 P18440 1/20 0.37
MAOA P21397 1/20 0.36
TGFBR1 P36897 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 0.94 KDM1A (0.40) KDM1AAURKAMALT1MAPTSMN1; SMN2
SCHEMBL8422278 0.92 MALT1 (0.38) KDM1AMALT1MAPTNAT1TGFBR1
SCHEMBL8424097 0.91 KDM1A (0.41) KDM1AAURKAMALT1MAPTSMN1; SMN2
SCHEMBL8420731 0.89 KDM1A (0.43) KDM1AAURKAMALT1MAPTSMN1; SMN2
SCHEMBL8422266 0.89 KDM1A (0.43) KDM1AAURKAMALT1MAPTSMN1; SMN2
SCHEMBL8424030 0.88 ALOX5AP (0.40) KDM1AMALT1MAPTSMN1; SMN2KIT
SCHEMBL8421953 0.86 MALT1 (0.43) KDM1AAURKAMALT1MAPTSMN1; SMN2
SCHEMBL8423757 0.86 KDM1A (0.41) KDM1AAURKAMALT1MAPTSMN1; SMN2
SCHEMBL8421656 0.86 KDM1A (0.42) KDM1AAURKAMALT1MAPTSMN1; SMN2
SCHEMBL8421776 0.85 KDM1A (0.47) KDM1AAURKAMALT1MAPTSMN1; SMN2

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