SCHEMBL7408672

SCHEMBL7408672

CNc1c(Cl)cc(C(=O)OC)c(O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36

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
SCHEMBL7407600 0.86 COMT (0.42) COMTTDP1GAAMEN1KMT2A
SCHEMBL12020147 0.85 SMN1; SMN2 (0.47) COMTTDP1GAAMEN1KMT2A
SCHEMBL7412641 0.84 COMT (0.49) COMTTDP1GAAMEN1KMT2A
SCHEMBL12468150 0.82 COMT (0.44) COMTTDP1GAAMEN1KMT2A
SCHEMBL7407394 0.82 GAA (0.46) COMTTDP1GAAMEN1KMT2A
SCHEMBL2013788 0.82 COMT (0.44) COMTTDP1GAAMEN1KMT2A
SCHEMBL12525557 0.80 COMT (0.43) COMTTDP1GAAMEN1KMT2A
SCHEMBL7419544 0.80 COMT (0.43) COMTTDP1GAAMEN1KMT2A
SCHEMBL2016162 0.78 COMT (0.44) COMTTDP1GAAMEN1KMT2A
SCHEMBL7408805 0.78 GAA (0.50) TDP1GAAKDM4ECA12CA1

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-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed