SCHEMBL8566049

SCHEMBL8566049

Nc1c([N+](=O)[O-])nc2ccccc2c1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
GLA P06280 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
NQO2 P16083 1/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL8562352 0.87 KDM4E (0.41) KDM4EALDH1A1GLASMN1; SMN2HSD17B10
SCHEMBL8565656 0.81 TXNRD1 (0.44) KDM4EALDH1A1GLASMN1; SMN2HSD17B10
SCHEMBL8569382 0.80 MAPT (0.39) KDM4EALDH1A1GLASMN1; SMN2HSD17B10
SCHEMBL8564523 0.80 KDM4E (0.53) KDM4EALDH1A1GLASMN1; SMN2HSD17B10
SCHEMBL8598811 0.79 KMT2A (0.40) KDM4EALDH1A1GLASMN1; SMN2HSD17B10
SCHEMBL8568682 0.79 S100A4 (0.46) KDM4EALDH1A1GLASMN1; SMN2HSD17B10
SCHEMBL8567087 0.78 VCAM1 (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTPOLB
SCHEMBL8922116 0.78 MGMT (0.39) KDM4EALDH1A1GLASMN1; SMN2HSD17B10
SCHEMBL8597772 0.77 TXNRD1 (0.42) KDM4EALDH1A1GLASMN1; SMN2HSD17B10
SCHEMBL8600292 0.77 CA12 (0.40) ALDH1A1SMN1; SMN2TDP1ACHEKMT2A

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