Sugi Predict

Sugi Predict / Compounds / SCHEMBL2825757

SCHEMBL2825757

SCHEMBL2825757

CN(C)c1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1.CS(=O)(=O)Nc1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.55
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38

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
SCHEMBL2825331 0.93 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2826165 0.88 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2829337 0.74 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2828846 0.72 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2829318 0.72 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2832381 0.71 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14037564 0.70 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2078080 0.67 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080594 0.66 MAPK14 (0.86) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2077845 0.64 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11

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-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 — — EP claimed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 — — WO claimed