SCHEMBL8599306

SCHEMBL8599306

C=CCNC(=O)c1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 1/20 0.43
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 5/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8597941 0.78 HTR2A (0.43) ALOX15HPGDALDH1A1SMN1; SMN2HTT
SCHEMBL8566566 0.78 CYP1A2 (0.52) ATG4BHPGDCYP1A2POLBCYP3A4
SCHEMBL8596069 0.77 ALDH1A1 (0.35) ATG4BHPGDPOLBCYP3A4CYP2C19
SCHEMBL8598112 0.77 SMN1; SMN2 (0.43) ATG4BMAPK1HSD17B10ALOX15HPGD
SCHEMBL8597304 0.77 ALOX15 (0.43) ATG4BMAPK1HSD17B10ALOX15HPGD
SCHEMBL8600033 0.76 HPGD (0.50) ATG4BHPGDCYP1A2POLBCYP3A4
SCHEMBL8603087 0.76 HCAR3 (0.42) ATG4BCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL8563141 0.74 ALDH1A1 (0.44) MAPK1HSD17B10ALOX15HPGDCYP1A2
SCHEMBL8566366 0.74 ALDH1A1 (0.42) ALOX15HPGDPOLBCYP3A4MAPT
SCHEMBL8564125 0.73 ALDH1A1 (0.33) MAPK1HSD17B10ALOX15HPGDCYP1A2

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