SCHEMBL9160280

SCHEMBL9160280

Nc1ccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.78
ALDH1A1 P00352 1/20 0.69
MAPT P10636 3/20 0.59
POLB P06746 1/20 0.59
FBP1 P09467 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PTGS2 P35354 5/20 0.51
CYP19A1 P11511 3/20 0.51
PTGS1 P23219 2/20 0.51
MAOB P27338 3/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
BCHE P06276 1/20 0.46
PKM P14618 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
SCHEMBL8637377 1.00 APP (0.78) APPALDH1A1MAPTPOLBFBP1
SCHEMBL900894 0.92 ALDH1A1 (0.75) APPALDH1A1MAPTPOLBFBP1
SCHEMBL900893 0.92 ALDH1A1 (0.75) APPALDH1A1MAPTPOLBFBP1
SCHEMBL7622323 0.90 APP (0.95) APPMAPTFBP1KMT2AMEN1
SCHEMBL11121103 0.90 APP (0.95) APPMAPTFBP1KMT2AMEN1
SCHEMBL11121099 0.90 APP (0.95) APPMAPTFBP1KMT2AMEN1
SCHEMBL7622329 0.90 APP (0.95) APPMAPTFBP1KMT2AMEN1
SCHEMBL8926613 0.88 APP (1.00) APPMAPTFBP1KMT2AMEN1
SCHEMBL8926611 0.88 APP (1.00) APPMAPTFBP1KMT2AMEN1
SCHEMBL9750387 0.88 APP (1.00) APPMAPTFBP1KMT2AMEN1

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-5470692-A Integrated optic components AKZO NOBEL N.V. (NL) 1995-11-28 US claimed