SCHEMBL10595306

SCHEMBL10595306

O=[N+]([O-])c1cccc2c1c([N+](=O)[O-])cc1cn[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
NOS1 P29475 5/20 0.61
TDP1 Q9NUW8 3/20 0.61
CYP3A4 P08684 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 3/20 0.61
CYP2C19 P33261 3/20 0.61
KMT2A Q03164 3/20 0.61
CYP1A2 P05177 2/20 0.61
TSHR P16473 2/20 0.61
NOS2 P35228 2/20 0.61
BLM P54132 2/20 0.61
THRB P10828 2/20 0.61
HPGD P15428 2/20 0.61
RECQL P46063 2/20 0.61
HSD17B10 Q99714 2/20 0.61
APEX1 P27695 1/20 0.61
NOS3 P29474 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL2702745 0.84 MAPT (0.58) MAPTNOS1TDP1CYP3A4KDM4E
SCHEMBL10594465 0.79 NOS1 (0.69) MAPTNOS1TDP1CYP3A4KDM4E
SCHEMBL10595301 0.78 NOS1 (0.63) MAPTNOS1TDP1CYP3A4KDM4E
7-Nitroindazole SCHEMBL216995 0.77 NOS1 (1.00) MAPTNOS1TDP1CYP3A4KDM4E
7-Nitroindazole SCHEMBL4297993 0.75 NOS1 (0.97) MAPTNOS1TDP1CYP3A4KDM4E
7-Nitroindazole SCHEMBL4297994 0.75 NOS1 (0.97) MAPTNOS1TDP1CYP3A4KDM4E
SCHEMBL30496200 0.73 ALDH1A1 (0.61) MAPTNOS1TDP1CYP3A4KDM4E
SCHEMBL4717435 0.73 NOS1 (0.64) MAPTNOS1TDP1CYP3A4KDM4E
SCHEMBL15796932 0.71 NOS1 (0.74) MAPTNOS1TDP1CYP3A4KDM4E
7-Nitroindazole SCHEMBL3722668 0.70 NOS1 (0.72) MAPTNOS1TDP1CYP3A4KDM4E

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-4871653-A DEVELOPING IN PRESENCE OF MERCAPTO POLYAZAINDENE PROMOTERS AND NUCLEATING QUATERNARY OR HYDRAZIDE-TYPE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 1989-10-03 US disclosed