SCHEMBL4746209

SCHEMBL4746209

Nc1cc(NC(=O)Nc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
MAPT P10636 6/20 0.60
HTT P42858 4/20 0.60
POLB P06746 2/20 0.60
DDX3X O00571 2/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
CXCR1 P25024 2/20 0.57
CXCR2 P25025 2/20 0.57
GAA P10253 2/20 0.57
ALOX5 P09917 1/20 0.56
LMNA P02545 5/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CA5A P35218 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51

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
SCHEMBL17221905 0.83 MAPT (0.48) MEN1KMT2AMAPTHTTPOLB
SCHEMBL17221904 0.83 MAPT (0.48) MEN1KMT2AMAPTHTTPOLB
SCHEMBL6129390 0.81 MEN1 (0.90) MEN1KMT2AMAPTHTTPOLB
SCHEMBL4748581 0.81 ALOX5 (0.81) MEN1KMT2AMAPTPOLBALOX5
Diphenylurea SCHEMBL27302793 0.81 MEN1 (0.81) MEN1KMT2AMAPTHTTPOLB
SCHEMBL1311061 0.79 MEN1 (0.79) MEN1KMT2AMAPTHTTPOLB
SCHEMBL11055960 0.79 MEN1 (0.85) MEN1KMT2AMAPTHTTPOLB
SCHEMBL4748934 0.79 TGM2 (0.62) MEN1KMT2AMAPTHTTPOLB
SCHEMBL11641525 0.78 MAPT (0.64) MEN1KMT2AMAPTHTTPOLB
Ammonia Solution, Strong SCHEMBL20268307 0.78 MEN1 (0.77) MEN1KMT2AMAPTHTTPOLB

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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed