SCHEMBL9818396

SCHEMBL9818396

Cc1c(-c2cccc(C(F)(F)F)c2)nc(-c2ccc(Cl)cc2)[nH]c1=S(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.47
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
RAF1 P04049 1/20 0.47
MAPK9 P45984 1/20 0.47
PIN1 Q13526 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6469182 0.72 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL9158038 0.71 DPP4 (0.44) CYP1A2CYP3A4CYP2C9KDM4EHTT
SCHEMBL9047925 0.69 SCN2A (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL9047927 0.69 SCN2A (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL9048174 0.68 SCN2A (0.80) SCN2A
SCHEMBL4776816 0.68 PIN1 (0.45) MAPK14PIN1CYP1A2CYP3A4CYP2C9
SCHEMBL30096811 0.66 CYP1A2 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4453854 0.66 CTSS (0.46) MAPK14PIN1CYP1A2CYP3A4CYP2C9
SCHEMBL2372504 0.66 DHODH (0.69) CYP1A2CYP3A4CYP2C9KDM4EHTT
SCHEMBL6365406 0.66 RAF1 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3141267-A None JP disclosed
JP-H03141267-A 2,4-DIPHENYL-5-METHYLSULFONYLPYRIMIDINE DERIVATIVE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1991-06-17 JP disclosed