SCHEMBL8563127

SCHEMBL8563127

O=[N+]([O-])c1ccncc1SCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GSTP1 P09211 3/20 0.54
GSTM2 P28161 3/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 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
EGFR P00533 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CTSB P07858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10681839 0.88 MEN1 (0.56) MEN1KMT2AGSTP1GSTM2CA12
SCHEMBL5376331 0.81 MEN1 (0.65) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL10926368 0.76 GSTP1 (0.45) MEN1KMT2AGSTP1GSTM2CA12
SCHEMBL8595244 0.75 KMT2A (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL393514 0.75 MEN1 (1.00) MEN1KMT2AGSTP1GSTM2EGFR
SCHEMBL30498938 0.75 MEN1 (1.00) MEN1KMT2AGSTP1GSTM2EGFR
SCHEMBL8568938 0.74 GSTP1 (0.49) MEN1KMT2AGSTP1GSTM2CA12
SCHEMBL8561811 0.74 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL11409450 0.73 GSTP1 (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL16029554 0.73 MEN1 (0.52) MEN1KMT2AGSTP1GSTM2CYP1A2

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