SCHEMBL8565786

SCHEMBL8565786

Nc1c(OC(F)(F)F)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MGMT P16455 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
NQO2 P16083 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL8566327 0.82 MGMT (0.38) SMN1; SMN2KDM4EGLAALDH1A1HPGD
SCHEMBL8561217 0.80 ABCC8 (0.43) SMN1; SMN2KDM4EGLAALDH1A1HPGD
SCHEMBL8562792 0.80 MGMT (0.40) SMN1; SMN2KDM4EGLAHPGDTDP1
SCHEMBL8567714 0.78 MGMT (0.61) MGMTACHELMNA
SCHEMBL8564301 0.77 KDM4E (0.47) SMN1; SMN2KDM4EGLAALDH1A1HPGD
SCHEMBL8564625 0.77 MAPT (0.38) SMN1; SMN2KDM4EGLAALDH1A1HPGD
SCHEMBL8563177 0.76 TSHR (0.48) SMN1; SMN2ALDH1A1MGMTLMNAHTT
SCHEMBL8561932 0.76 KDM4E (0.46) SMN1; SMN2KDM4EGLAALDH1A1HPGD
SCHEMBL8600045 0.76 TLR8 (0.42) SMN1; SMN2KDM4EALDH1A1MGMTACHE
SCHEMBL8565807 0.75 KDM4E (0.44) SMN1; SMN2KDM4EGLAALDH1A1HPGD

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