SCHEMBL23902836

SCHEMBL23902836

O=[N+]([O-])c1nc[nH]c1C(Cl)=NO

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
NAMPT P43490 1/20 0.33
XDH P47989 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GDA Q9Y2T3 1/20 0.30

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
SCHEMBL23902839 0.80 DPP4 (0.40) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL23902837 0.80 DPP4 (0.40) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL5702243 0.74 GDA (0.36) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL2476842 0.74 GDA (0.53) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL23902838 0.70 MEN1 (0.34) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL9669161 0.69
SCHEMBL9044558 0.69
SCHEMBL250367 0.66 TAAR1 (0.46) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL4299008 0.65
SCHEMBL755097 0.65

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-3562797-B1 NEW GENERATION PRIMARY EXPLOSIVE ATILIM UNIV (TR) 2021-10-13 EP claimed