SCHEMBL8562706

SCHEMBL8562706

Nc1nccc(SCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.47
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MGMT P16455 1/20 0.44
MAPT P10636 5/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL8565267 0.81 MEN1 (0.50) MEN1KMT2AGSTP1GSTM2LMNA
SCHEMBL9909776 0.78 LMNA (0.61) HTTGSTP1GSTM2LMNAALDH1A1
SCHEMBL22531432 0.78 POLB (0.62) MEN1KMT2AHTTGSTP1GSTM2
SCHEMBL8567672 0.78 MEN1 (0.60) MEN1KMT2AHTTGSTP1GSTM2
SCHEMBL18708571 0.76 GSTP1 (0.52) MEN1KMT2AGSTP1GSTM2LMNA
SCHEMBL8596783 0.76 HTT (0.40) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL8568481 0.75 HTT (0.50) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL8568938 0.75 GSTP1 (0.49) MEN1KMT2AHTTGSTP1GSTM2
SCHEMBL8595691 0.74 GPR84 (0.44) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL5036374 0.73 MGMT (0.58) MEN1KMT2AHTTLMNAMGMT

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