SCHEMBL8565798

SCHEMBL8565798

Nc1cncc(C(=O)OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 4/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MGMT P16455 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.43
COMT P21964 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE1C Q14123 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL8568707 0.81 CES2 (0.39) ALDH1A1MAPTLMNAMGMTPOLB
SCHEMBL8562423 0.80 RAB9A (0.52) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL1202073 0.78 RAB9A (0.53) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL8563963 0.78 KMT2A (0.55) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL8565140 0.78 HTT (0.55) ALDH1A1KMT2ALMNAPOLBL3MBTL1
SCHEMBL8560325 0.77 RAB9A (0.51) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL8566919 0.76 MGMT (0.53) MAPTKMT2AMGMT
SCHEMBL8566904 0.76 MGMT (0.44) RAB9AMAPTKMT2ALMNAMGMT
SCHEMBL2706463 0.76 ALDH1A1 (0.61) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL8599704 0.75 ALDH1A1 (0.50) RAB9AALDH1A1TDP1MAPTLMNA

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