SCHEMBL8560428

SCHEMBL8560428

Nc1nc2ccccc2c(SCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 8/20 0.45
MGMT P16455 1/20 0.45
ALDH1A1 P00352 4/20 0.43
ELANE P08246 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 5/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
ABCB1 P08183 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL8600860 0.82 DHFR (0.41) MEN1KMT2APOLBMAPTMGMT
SCHEMBL8567296 0.82 MEN1 (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8597355 0.80 TLR8 (0.44) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8564291 0.79 MAPT (0.49) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8562265 0.77 MAPT (0.48) KMT2APOLBMAPTMGMTALDH1A1
SCHEMBL8567950 0.77 CYP3A4 (0.47) MEN1KMT2APOLBMAPTMGMT
SCHEMBL3953291 0.75 KDM4E (0.52) MEN1KMT2APOLBMAPTMGMT
SCHEMBL8565327 0.75 MEN1 (0.52) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8566311 0.74 MGMT (0.61) MAPTMGMTELANELMNAMAPK1
SCHEMBL8563517 0.74 MAPT (0.61) MEN1KMT2APOLBMAPTALDH1A1

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