SCHEMBL12066583

SCHEMBL12066583

COc1ccc(C(OC)c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 4/20 0.46
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL14770551 0.89 LMNA (0.43) LMNAKDM4EALDH1A1MAPTOPRM1
SCHEMBL14774196 0.89 MLKL (0.42) MLKLLMNAKDM4EMAPTSMN1; SMN2
SCHEMBL14770730 0.72 MLKL (0.44) MLKLLMNAKDM4EALDH1A1MAPT
SCHEMBL14770549 0.71 ALDH1A1 (0.42) MLKLLMNAKDM4EALDH1A1MAPT
SCHEMBL14770499 0.69 MLKL (0.44) MLKLLMNAKDM4EALDH1A1ROCK2
SCHEMBL12066053 0.68 MLKL (0.41) MLKLLMNAKDM4EALDH1A1ROCK2
SCHEMBL691734 0.68 ALDH1A1 (0.73) LMNAALDH1A1MAPTOPRM1OPRD1
SCHEMBL14762836 0.68 MLKL (0.48) MLKLKDM4EALDH1A1
SCHEMBL14770690 0.67 MLKL (0.52) MLKLLMNAKDM4EALDH1A1MAPT
SCHEMBL14770550 0.67 FLT3 (0.40) MLKLLMNAKDM4E

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
WO-2011148956-A1 FUSED IMIDAZOLE DERIVATIVE トーアエイヨー株式会社 (JP) 2011-12-01 — — WO disclosed
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