SCHEMBL8565267

SCHEMBL8565267

Nc1c(SCc2ccccc2)ccnc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C9 P11712 1/20 0.45
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.41
HPGD P15428 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
SCHEMBL30068290 0.83 KMT2A (0.47) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL8562802 0.81 MEN1 (0.61) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL8562706 0.81 MEN1 (0.50) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL8561788 0.77 ALDH1A1 (0.47) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL8597309 0.76 KMT2A (0.38) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8566712 0.75 CYP19A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL8596095 0.74 GPR84 (0.41) MEN1KMT2AGSTP1GSTM2SMN1; SMN2
SCHEMBL8566190 0.73 KMT2A (0.58) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8567672 0.72 MEN1 (0.60) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL8562887 0.72 BACE1 (0.52) MEN1KMT2AALDH1A1POLBCYP1A2

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