Sugi Predict

Sugi Predict / Compounds / SCHEMBL2825612

SCHEMBL2825612

SCHEMBL2825612

Nc1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1.Nc1cc(-c2ccc(F)cc2Cl)c2ccnc(-c3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.68
▸ MAPK13 O15264 1/20 0.50
▸ MAPK12 P53778 1/20 0.50
▸ MAPK11 Q15759 1/20 0.50

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
SCHEMBL2830539 0.92 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2841163 0.88 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2829385 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2825630 0.82 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2825629 0.82 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2875316 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2829471 0.81 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080855 0.81 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2828846 0.80 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL11983742 0.80 MAPK14 (0.55) 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