SCHEMBL9738495

SCHEMBL9738495

Cc1cc(Cl)nc(Nc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
EPAS1 Q99814 1/20 0.50
MAPK1 P28482 6/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CASP7 P55210 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 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
SCHEMBL27875724 0.86 MAPT (0.60) MAPTEPAS1MAPK1L3MBTL1ALDH1A1
SCHEMBL9513799 0.78 MAPT (0.50) MAPTEPAS1MAPK1L3MBTL1ALDH1A1
SCHEMBL4942989 0.78 ALDH1A1 (0.61) MAPTEPAS1MAPK1L3MBTL1ALDH1A1
SCHEMBL16654980 0.76 MAPT (0.60) MAPTEPAS1MAPK1L3MBTL1ALDH1A1
SCHEMBL16748017 0.76 KMT2A (0.63) MAPTMAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL4589497 0.75 EPAS1 (0.71) MAPTEPAS1MAPK1L3MBTL1ALDH1A1
SCHEMBL28523405 0.75 EPAS1 (0.52) MAPTEPAS1MAPK1L3MBTL1ALDH1A1
SCHEMBL4945790 0.74 MAPT (0.58) MAPTEPAS1MAPK1L3MBTL1ALDH1A1
SCHEMBL21463918 0.74 MAPK1 (0.53) MAPTEPAS1MAPK1L3MBTL1ALDH1A1
SCHEMBL30615434 0.74 MAPK1 (0.53) MAPTEPAS1MAPK1L3MBTL1ALDH1A1

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
US-5154751-A HERBICIDAL UREA COMPOUNDS AND COMPOSITIONS CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0401168-A2 Herbicides CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed