SCHEMBL8566816

SCHEMBL8566816

Nc1nc2ccccc2c(CCl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MGMT P16455 3/20 0.43
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
TLR8 Q9NR97 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8562265 0.84 MAPT (0.48) MAPTMGMTMAPK1LMNAHPGD
SCHEMBL8599452 0.82 MAPT (0.43) MAPTMGMTCYP3A4MAPK1LMNA
SCHEMBL8567950 0.81 CYP3A4 (0.47) MAPTMGMTCYP3A4MAPK1LMNA
SCHEMBL12518927 0.80 MAOA (0.48) MAPTMGMTCYP3A4MAPK1LMNA
SCHEMBL27842115 0.80 TLR8 (0.45) MAPTMGMTLMNAKMT2AHTT
SCHEMBL8596689 0.80 TLR8 (0.61) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL8564398 0.80 POLB (0.43) MAPTMGMTMAPK1LMNAHPGD
SCHEMBL3953291 0.80 KDM4E (0.52) MAPTMGMTCYP3A4MAPK1LMNA
SCHEMBL8566788 0.79 KDM4E (0.41) MAPTMAPK1LMNAHPGDKMT2A
SCHEMBL10589352 0.78 MEN1 (0.45) MAPTMGMTCYP3A4MAPK1KMT2A

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