SCHEMBL9068299

SCHEMBL9068299

O=C(NCO)C(Nc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PHGDH O43175 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9032150 0.86 LMNA (0.49) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL9030000 0.84 MAPT (0.47) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL377354 0.83 MAPT (0.46) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL9029961 0.83 KMT2A (0.48) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL9246536 0.83 MAPT (0.46) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL29456982 0.83 MAPT (0.46) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL8789647 0.79 MAPT (0.50) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL9016031 0.74 MAPT (0.50) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL8830260 0.71 SGMS2 (0.52) MAPTL3MBTL1MAPK1LMNAKMT2A
SCHEMBL8830256 0.70 TSHR (0.43) MAPTL3MBTL1MAPK1LMNAKMT2A

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-5556886-A VIRICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-17 US disclosed