SCHEMBL8562846

SCHEMBL8562846

N#Cc1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
VCAM1 P19320 3/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
GRM6 O15303 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL8566844 0.80 MEN1 (0.40) HTTMAPTHPGDPOLBTDP1
SCHEMBL31243772 0.75 GRIA1 (0.42) XDHVCAM1GRIA1GRIA2GRIA3
SCHEMBL8565256 0.73 MAPT (0.41) HTTMAPTPOLBTDP1ALOX15
SCHEMBL8562112 0.73 GAA (0.41) HTTGAAMAPTHPGDTDP1
SCHEMBL1161287 0.73 CASP3 (0.42) XDHVCAM1CYP2C9TDP1GRIN2D
SCHEMBL8569930 0.72 MEN1 (0.35) HTTMAPTHPGDPOLBTDP1
SCHEMBL17555458 0.72 ALDH1A1 (0.36) HTTMAPTHPGDTDP1ALOX15
SCHEMBL11069545 0.70 XDH (0.45) XDHVCAM1GAAMAPTHPGD
SCHEMBL29768800 0.70 CSNK1A1 (0.36) HTTGAACYP2C9CYP1A2MEN1
SCHEMBL8560493 0.68 ALDH1A1 (0.38) HTTMAPTHPGDPOLBALOX15

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed