SCHEMBL8566366

SCHEMBL8566366

NC(=O)c1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MITF O75030 1/20 0.37
CASP1 P29466 1/20 0.35
TSHR P16473 2/20 0.34
ALOX15 P16050 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8563141 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP3A4BLM
SCHEMBL8564125 0.85 ALDH1A1 (0.33) ALDH1A1LMNAMAPTCYP3A4SMN1; SMN2
SCHEMBL8566803 0.78 ALOX15 (0.44) ALDH1A1LMNAMAPTCYP3A4KMT2A
SCHEMBL8568828 0.76 TDP1 (0.48) ALDH1A1MAPTCYP3A4KMT2AMEN1
SCHEMBL8562235 0.76 TDP1 (0.48) ALDH1A1LMNAMAPTCYP3A4KMT2A
SCHEMBL8559950 0.75 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP3A4KMT2A
SCHEMBL8599052 0.75 HTT (0.40) ALDH1A1LMNA
SCHEMBL8599306 0.74 ATG4B (0.43) ALDH1A1MAPTCYP3A4KMT2ANPC1
SCHEMBL8596069 0.74 ALDH1A1 (0.35) ALDH1A1LMNAMAPTCYP3A4KMT2A
SCHEMBL8562881 0.74 MAPK1 (0.37) ALDH1A1MAPTNPC1RAB9ATSHR

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