SCHEMBL11299294

SCHEMBL11299294

O=[N+]([O-])c1ccc(/C=C/c2ccccc2/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.62
APP P05067 1/20 0.62
RAB9A P51151 3/20 0.61
MAPT P10636 3/20 0.61
NPC1 O15118 2/20 0.61
SNCA P37840 3/20 0.60
FBP1 P09467 1/20 0.60
PTGS2 P35354 5/20 0.58
PTGS1 P23219 2/20 0.58
BCHE P06276 1/20 0.56
MAOB P27338 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
NFE2L2 Q16236 1/20 0.55
TLR9 Q9NR96 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1B1 Q16678 1/20 0.51

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
SCHEMBL10940074 1.00 CYP19A1 (0.62) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL10385048 0.89 CYP19A1 (0.56) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL9826462 0.89 CYP19A1 (0.56) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL2774584 0.89 CYP19A1 (0.60) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL2774588 0.89 CYP19A1 (0.60) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL9826818 0.88 CYP19A1 (0.54) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL14506296 0.88 CYP19A1 (0.54) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL14692242 0.88 CYP19A1 (0.54) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL12735606 0.88 PTGS2 (0.61) CYP19A1APPRAB9AMAPTNPC1
SCHEMBL14692244 0.88 CYP19A1 (0.54) CYP19A1APPRAB9AMAPTNPC1

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
JP-56002352-A None JP disclosed
JP-S562352-A NOVEL DISAZO COMPOUND AND ITS PREPARATION RICOH CO LTD 1981-01-12 JP disclosed