SCHEMBL9357909

SCHEMBL9357909

O=C=Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
PTGS2 P35354 7/20 0.54
FBP1 P09467 1/20 0.53
PTGS1 P23219 2/20 0.51
CYP19A1 P11511 2/20 0.51
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PLAU P00749 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
GALK1 P51570 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL9357905 1.00 APP (0.55) APPRAB9AMAPTNPC1PTGS2
SCHEMBL62027 0.89 PLAU (0.52) RAB9AMAPTNPC1CA1CA2
SCHEMBL4266913 0.84 ALDH1A1 (0.51) RAB9AMAPTNPC1PLAUMAPK1
SCHEMBL21630438 0.84 PLAU (0.47) RAB9AMAPTNPC1PLAUMAPK1
SCHEMBL1124777 0.84 CA12 (0.47) APPRAB9AMAPTCA12CA1
SCHEMBL4266917 0.84 ALDH1A1 (0.51) RAB9AMAPTNPC1PLAUMAPK1
SCHEMBL9680269 0.83 CYP3A4 (0.54) MAPTPTGS2PTGS1CYP19A1CA12
SCHEMBL305859 0.83 CYP3A4 (0.54) MAPTPTGS2PTGS1CYP19A1CA12
SCHEMBL305858 0.83 CYP3A4 (0.54) MAPTPTGS2PTGS1CYP19A1CA12
SCHEMBL10458459 0.83 CYP3A4 (0.54) MAPTPTGS2PTGS1CYP19A1CA12

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-0621962-A1 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-02 EP claimed
WO-1993015596-A2 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 WO claimed
EP-0621962-A1 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-02 EP disclosed
US-5256784-A Merocyanine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-26 US disclosed
WO-1993015596-A2 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 WO disclosed