SCHEMBL8561102

SCHEMBL8561102

N#Cc1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
VCAM1 P19320 3/20 0.39
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
GRM6 O15303 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.36
DPP4 P27487 1/20 0.35
ALOX15 P16050 2/20 0.35

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
SCHEMBL4757258 0.79 VCAM1 (0.47) XDHVCAM1GRIA1GRIA2GRIA3
SCHEMBL8566378 0.77 ALDH1A1 (0.36) MAPTHPGDTDP1ALDH1A1ALOX15
SCHEMBL8568828 0.76 TDP1 (0.48) MAPTHPGDPOLBTDP1ALDH1A1
SCHEMBL8562235 0.76 TDP1 (0.48) MAPTHPGDPOLBTDP1ALDH1A1
SCHEMBL8566803 0.74 ALOX15 (0.44) HTTGAAMAPTHPGDTDP1
SCHEMBL28076647 0.73 MAPT (0.45) HTTGAAMAPTHPGDTDP1
SCHEMBL7898980 0.71 HTT (0.44) HTTGAAMAPTHPGDALDH1A1
SCHEMBL12466747 0.71 MAPT (0.37) XDHHTTGAAMAPTHPGD
SCHEMBL23167572 0.70 ALDH1A1 (0.55) XDHHTTGAAMAPTCYP2C9
SCHEMBL8567243 0.69 CA2 (0.38) VCAM1MAPTHPGDCYP2C9APEX1

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