SCHEMBL8566378

SCHEMBL8566378

Nc1cnc([N+](=O)[O-])c(S)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 3/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
IDO1 P14902 1/20 0.33
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8568828 0.80 TDP1 (0.48) ALDH1A1ALOX15HPGDMAPTTDP1
SCHEMBL8562235 0.80 TDP1 (0.48) ALDH1A1ALOX15HPGDMAPTTDP1
SCHEMBL8566803 0.78 ALOX15 (0.44) ALDH1A1ALOX15HPGDMAPTTDP1
SCHEMBL28076647 0.77 MAPT (0.45) ALDH1A1ALOX15HPGDMAPTTDP1
SCHEMBL8569645 0.77 ALDH1A1 (0.42) ALDH1A1ALOX15HPGDMAPTTDP1
SCHEMBL8561102 0.77 XDH (0.41) ALDH1A1ALOX15HPGDMAPTTDP1
SCHEMBL8563141 0.73 ALDH1A1 (0.44) ALDH1A1ALOX15HPGDMAPTTDP1
SCHEMBL8567243 0.73 CA2 (0.38) ALDH1A1ALOX15HPGDMAPTMAPK1
SCHEMBL8569178 0.73 ALDH1A1 (0.37) ALDH1A1ALOX15HPGDMAPTTDP1
SCHEMBL8566366 0.73 ALDH1A1 (0.42) ALDH1A1ALOX15HPGDMAPTTDP1

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