SCHEMBL11133083

SCHEMBL11133083

O=[N+]([O-])c1ccc(C=Cc2nnc(C=Cc3ccc([N+](=O)[O-])cc3)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ METAP2 P50579 1/20 0.59
▸ APP P05067 2/20 0.56
▸ FBP1 P09467 1/20 0.55
▸ PTGS2 P35354 6/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ CYP19A1 P11511 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ LMNA P02545 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
SCHEMBL11133082 1.00 MAPT (0.61) MAPTNPC1RAB9AMETAP2APP
SCHEMBL14874538 0.89 METAP2 (0.53) MAPTNPC1RAB9AMETAP2APP
SCHEMBL14874539 0.89 METAP2 (0.53) MAPTNPC1RAB9AMETAP2APP
SCHEMBL31385202 0.85 METAP2 (0.50) MAPTNPC1RAB9AMETAP2APP
SCHEMBL8956458 0.85 METAP2 (0.50) MAPTNPC1RAB9AMETAP2APP
SCHEMBL9170800 0.82 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL458177 0.82 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL14947048 0.82 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL458178 0.82 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL9170804 0.82 APP (0.78) MAPTNPC1RAB9AAPPFBP1

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
US-4399206-A Disazo electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1983-08-16 — — US disclosed
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