SCHEMBL8566529

SCHEMBL8566529

Nc1c(C2CC2F)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
BCHE P06276 1/20 0.41
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
NQO2 P16083 1/20 0.37
MAOA P21397 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL8562847 0.80 ACHE (0.42) ACHEBCHELMNASMN1; SMN2KDM4E
SCHEMBL8564301 0.75 KDM4E (0.47) ACHELMNASMN1; SMN2KDM4EGLA
SCHEMBL8561932 0.74 KDM4E (0.46) ACHELMNASMN1; SMN2KDM4EGLA
SCHEMBL8563673 0.74 CYP3A4 (0.36) ACHEBCHELMNASMN1; SMN2KDM4E
SCHEMBL8565807 0.73 KDM4E (0.44) ACHEBCHELMNASMN1; SMN2KDM4E
SCHEMBL8567685 0.73 S100A4 (0.46) ACHELMNASMN1; SMN2KDM4EGLA
SCHEMBL8561217 0.72 ABCC8 (0.43) ACHELMNASMN1; SMN2KDM4EGLA
SCHEMBL8566522 0.72 KDM4E (0.38) ACHEBCHELMNASMN1; SMN2KDM4E
SCHEMBL8564291 0.71 MAPT (0.49) LMNASMN1; SMN2ALDH1A1TDP1CYP3A4
SCHEMBL20291524 0.71 CYP3A4 (0.61) ACHELMNASMN1; SMN2KDM4EGLA

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