SCHEMBL8565247

SCHEMBL8565247

Nc1c(CCl)ccnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
S1PR4 O95977 1/20 0.34
RECQL P46063 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.32
ESR2 Q92731 1/20 0.32
ROCK1 Q13464 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8601106 0.79 PDE4A (0.35) ALDH1A1POLBKDM4EMAPTRECQL
SCHEMBL28245348 0.78 GABRP (0.38) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL8566712 0.78 CYP19A1 (0.43) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL8600006 0.76 HTT (0.36) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL8568292 0.76 ALDH1A1 (0.39) ALDH1A1POLBKDM4EMAPTNPC1
SCHEMBL8598075 0.76 HTT (0.42) ALDH1A1TSHRKDM4EMAPTNPC1
SCHEMBL8141010 0.76 HTT (0.37) ALDH1A1TSHRPOLBMAPTHTT
SCHEMBL28003388 0.75 BID (0.38) ALDH1A1TSHRPOLBKDM4EMAPT
SCHEMBL540885 0.75 ALDH1A1 (0.52) ALDH1A1TSHRPOLBKDM4EMAPT
SCHEMBL8564386 0.74 ALDH1A1 (0.41) ALDH1A1TSHRPOLBKDM4EMAPT

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