SCHEMBL8562996

SCHEMBL8562996

Nc1cc(SCc2ccccc2)c([N+](=O)[O-])cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GSTP1 P09211 1/20 0.51
GSTM2 P28161 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 1/20 0.47
PIN1 Q13526 3/20 0.44
EGFR P00533 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTSB P07858 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SCN9A Q15858 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
SCHEMBL15155567 0.80 CYP3A4 (0.55) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL11409450 0.79 GSTP1 (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL5376331 0.78 MEN1 (0.65) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL10681839 0.76 MEN1 (0.56) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL8568330 0.76 PIN1 (0.44) MEN1KMT2ACYP3A4PIN1EGFR
SCHEMBL10263365 0.76 CYP3A4 (0.61) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL11415231 0.76 PDE7A (0.52) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL8561788 0.76 ALDH1A1 (0.47) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL23833475 0.76 POLB (0.54) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL8595123 0.75 EGFR (0.36) MEN1KMT2AHPGDPOLBALDH1A1

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