SCHEMBL6007713

SCHEMBL6007713

O=[N+]([O-])c1cccc2[nH]c3cccc([N+](=O)[O-])c3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GPR35 Q9HC97 2/20 0.50
NOS1 P29475 1/20 0.50
CDK2 P24941 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
MAPT P10636 2/20 0.44
PARP1 P09874 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
S100A4 P26447 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MGAM O43451 1/20 0.43

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
SCHEMBL6009063 0.89 TSHR (0.55) TDP1GPR35NOS1TSHRALDH1A1
SCHEMBL7004441 0.87 TDP1 (0.44) TDP1GPR35NOS1CDK2TSHR
SCHEMBL3433685 0.87 TDP1 (0.53) TDP1NOS1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9055483 0.83 GRIN2D (0.53) TDP1NOS1CDK2TSHRALDH1A1
SCHEMBL5142127 0.82 CTSV (0.55) TDP1NOS1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1799350 0.81 TYMS (0.47) TDP1GPR35NOS1CDK2TSHR
SCHEMBL31326011 0.81 L3MBTL1 (0.57) TDP1GPR35NOS1CDK2TSHR
SCHEMBL29478497 0.81 MAPT (0.57) TDP1NOS1TSHRALDH1A1SMN1; SMN2
SCHEMBL3915197 0.81 L3MBTL1 (0.57) TDP1GPR35NOS1CDK2TSHR
SCHEMBL28907048 0.81 MAPT (0.57) TDP1NOS1TSHRALDH1A1SMN1; SMN2

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-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed