SCHEMBL5313112

SCHEMBL5313112

O=C(CNc1cc(-c2c(-c3ccc(F)cc3)nc3n2CCS3)ccn1)Nc1cc(-c2c(-c3ccc(F)cc3)nc3n2CCS3)ccn1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.80
MAPK13 O15264 3/20 0.57
MAPK12 P53778 3/20 0.57
MAPK11 Q15759 3/20 0.57
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TGFBR1 P36897 1/20 0.48
KCNH2 Q12809 1/20 0.46

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
SCHEMBL2847761 0.87 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5313107 0.82 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2842996 0.79 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2851558 0.78 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2847515 0.78 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2851559 0.78 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL3226505 0.77 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2845779 0.77 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2842469 0.76 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7378916 0.74 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11KDM4E

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
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP disclosed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 WO disclosed