SCHEMBL8564398

SCHEMBL8564398

COCCc1c([N+](=O)[O-])c(N)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MGMT P16455 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.40
EGFR P00533 1/20 0.40
TLR8 Q9NR97 4/20 0.40
NCF1 P14598 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL8559919 0.82 POLB (0.43) POLBMAPTALDH1A1EGFRTLR8
SCHEMBL8596689 0.82 TLR8 (0.61) MAPTALDH1A1TLR8LMNAHPGD
SCHEMBL8562740 0.81 MGMT (0.43) POLBMGMTMAPTALDH1A1EGFR
SCHEMBL8566816 0.80 MAPT (0.43) POLBMGMTMAPTALDH1A1TLR8
SCHEMBL27842115 0.80 TLR8 (0.45) POLBMGMTMAPTALDH1A1TLR8
SCHEMBL8566973 0.80 POLB (0.43) POLBMGMTMAPTALDH1A1EGFR
SCHEMBL8562265 0.79 MAPT (0.48) POLBMGMTMAPTALDH1A1TLR8
SCHEMBL8599452 0.76 MAPT (0.43) POLBMGMTMAPTALDH1A1TLR8
SCHEMBL8567950 0.76 CYP3A4 (0.47) POLBMGMTMAPTALDH1A1LMNA
SCHEMBL3953291 0.74 KDM4E (0.52) POLBMGMTMAPTALDH1A1LMNA

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