SCHEMBL4297302

SCHEMBL4297302

NP(N)(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
CHRM2 P08172 1/20 0.51
PTPRF P10586 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
CA2 P00918 3/20 0.49
CA1 P00915 3/20 0.49
IDO1 P14902 3/20 0.49
AKR1C3 P42330 1/20 0.47
CA12 O43570 2/20 0.47
CA4 P22748 1/20 0.47
TSHR P16473 1/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL1829766 0.77 LOXL2 (0.61) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL628651 0.77 CHRM2 (0.72) LOXL2CHRM2PTPRFPTPN2PTPN1
Hydrochloric Acid SCHEMBL28365077 0.76 LOXL2 (0.59) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL2012871 0.74 HSD17B10 (0.49) ALDH1A1POLB
SCHEMBL1262320 0.73 CHRM2 (0.58) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL5356054 0.73 CHRM2 (0.58) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL6246420 0.73 CHRM2 (0.58) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL1938300 0.73 CHRM2 (0.58) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL11597593 0.73 CHRM2 (0.79) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL11415667 0.72 ALDH1A1 (0.53) LOXL2CA2CA1CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090208460-A1 Mutant Herpes Simplex Viruses Comprising Nucleic Acid Encoding A Nitroreductase CRUSADE LABORATORIES LIMITED (GB) 2009-08-20 US disclosed
EP-1685254-B1 ONCOLYTIC HERPES SIMPLEX VIRUS ENCODING A HETEROLOGOUS NITROREDUCTASE CRUSADE LAB LTD (GB) 2009-06-10 EP disclosed
US-7498161-B2 Mutant herpes simplex viruses comprising nucleic acid encoding a nitroreductase CRUSADE LABORATORIES LIMITED (GB) 2009-03-03 US disclosed
US-20070098689-A1 Mutant viruses VIRTTU BIOLOGICS LIMITED 2007-05-03 US disclosed
WO-2005049845-A9 ONCOLYTIC HERPES SIMPLEX VIRUS ENCODING A HETEROLOGOUS NITROREDUCTASE CRUSADE LAB LTD (GB) 2006-08-17 WO disclosed
EP-1685254-A2 ONCOLYTIC HERPES SIMPLEX VIRUS ENCODING A HETEROLOGOUS NITROREDUCTASE Crusade Laboratories Limited (GB) 2006-08-02 EP disclosed
WO-2005049845-A2 ONCOLYTIC HERPES SIMPLEX VIRUS ENCODING A HETEROLOGOUS NITROREDUCTASE CRUSADE LABORATORIES LIMITED (GB) 2005-06-02 WO disclosed