SCHEMBL9303213

SCHEMBL9303213

O=C1C=CC(=O)N1Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
APP P05067 2/20 0.49
FBP1 P09467 1/20 0.47
PTGS2 P35354 7/20 0.46
PTGS1 P23219 2/20 0.46
CYP19A1 P11511 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GALK1 P51570 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL9303275 0.91 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL14947048 0.76 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL9170800 0.76 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL458178 0.76 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL9170804 0.76 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL458177 0.76 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL8506713 0.74 ALDH1A1 (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL8506711 0.74 ALDH1A1 (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL28084692 0.72 ALDH1A1 (0.42) MAPTALDH1A1GAAHPGDALOX12
SCHEMBL8724465 0.71 ALDH1A1 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP claimed
WO-1992003417-A2 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 WO claimed
US-5312565-A Nonlinear optical materials E. I. DUPONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP disclosed
WO-1992003417-A2 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 WO disclosed