SCHEMBL8562847

SCHEMBL8562847

Nc1c(C2CCNCC2)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
BCHE P06276 1/20 0.42
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NCF1 P14598 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL8597133 0.80 HTR2A (0.39) ACHEBCHELMNAMEN1KMT2A
SCHEMBL8566529 0.80 ACHE (0.41) ACHEBCHELMNAMEN1KMT2A
SCHEMBL8562365 0.79 ACHE (0.40) ACHEBCHEHTR6MEN1KMT2A
SCHEMBL8561732 0.75 PRKAA2 (0.43) ACHEBCHEMEN1KMT2AALDH1A1
SCHEMBL8564301 0.73 KDM4E (0.47) ACHELMNAMEN1KMT2AALDH1A1
SCHEMBL6975725 0.73 NUDT1 (0.53) ACHEBCHEMAOBHTR6MEN1
SCHEMBL8561932 0.72 KDM4E (0.46) ACHELMNAMEN1KMT2AALDH1A1
SCHEMBL8563546 0.72 HTR2C (0.40) HTR6MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL8567840 0.72 POLB (0.47) LMNAMEN1KMT2ASLC18A3SIGMAR1
SCHEMBL8567685 0.71 S100A4 (0.46) ACHELMNAMEN1KMT2AALDH1A1

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