SCHEMBL9687632

SCHEMBL9687632

O=[N+]([O-])c1ccc(COc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
LMNA P02545 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HTR1A P08908 1/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
IDO1 P14902 2/20 0.59
RECQL P46063 1/20 0.58
PPIA P62937 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL13483785 0.89 MAPT (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6031737 0.89 MAPT (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL25204382 0.89 MAPT (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9566106 0.86 MAPT (0.60) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6730910 0.86 PPIA (0.55) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3686701 0.86 MAPT (0.71) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL347674 0.86 MEN1 (0.65) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9566105 0.86 MAPT (0.56) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL30096056 0.86 MAPT (0.60) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL227098 0.84 MAPT (0.71) MAPTLMNARAB9AMEN1KMT2A

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
EP-0472062-A1 Beta-lactam compounds, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-02-26 EP disclosed