SCHEMBL9004983

SCHEMBL9004983

O=Cc1csc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 3/20 0.43
PTPRC P08575 1/20 0.42
XDH P47989 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
VCAM1 P19320 1/20 0.39
NPSR1 Q6W5P4 3/20 0.37
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL3272796 1.00 MAPT (0.43) MAPTALDH1A1PTPRCXDHALDH5A1
SCHEMBL8642563 0.79 FBP1 (0.48) MAPTALDH1A1
SCHEMBL8552036 0.79 FBP1 (0.48) MAPTALDH1A1
SCHEMBL18430396 0.71
SCHEMBL9005006 0.71 PTPRC (0.46) MAPTALDH1A1PTPRCVCAM1NPSR1
SCHEMBL2016370 0.71 PTPRC (0.46) MAPTALDH1A1PTPRCVCAM1NPSR1
SCHEMBL1225185 0.71 MAPT (0.46) MAPTALDH1A1NPSR1GAA
SCHEMBL1225186 0.71 MAPT (0.46) MAPTALDH1A1NPSR1GAA
SCHEMBL11320926 0.70
SCHEMBL259685 0.70

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235939-B2 Thermal transfer printing ZENECA LTD (GB) 1996-10-09 EP disclosed
EP-0235939-A2 Thermal transfer printing ZENECA LIMITED (GB) 1987-09-09 EP disclosed