SCHEMBL6676307

SCHEMBL6676307

CC(C)(C)OC(=O)NCc1ccc(NC(=N)N[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.52
MAPT P10636 5/20 0.46
TDP1 Q9NUW8 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
XBP1 P17861 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PTPN11 Q06124 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
CYP17A1 P05093 1/20 0.41
PRMT1 Q99873 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6679736 0.86 GLS (0.46) NAMPTMAPTHDAC1CA1CA2
SCHEMBL6678154 0.84 PRMT1 (0.41) NAMPTPTPN11CA1CA2CYP17A1
SCHEMBL6680780 0.84 PTPN11 (0.41) NAMPTFPR3FPR2PTPN11CA1
SCHEMBL7246439 0.82 ALDH1A1 (0.43) MAPTPTPN11MAPK1GAA
SCHEMBL6686311 0.80 HDAC8 (0.46) MAPTTDP1NPSR1KDM4E
SCHEMBL6676225 0.80 PTPN11 (0.41) NAMPTPTPN11CA1CA2GAA
SCHEMBL6690522 0.80 ALDH1A1 (0.37) NAMPTMAPTTDP1L3MBTL1PTPN11
SCHEMBL5595635 0.80 NAMPT (0.58) NAMPTMAPTTDP1NPSR1XBP1
SCHEMBL6680751 0.79 KLK5 (0.46) NPSR1CA1CA2
SCHEMBL7247922 0.79 PTPN11 (0.38) NAMPTMAPTTDP1NPSR1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed