SCHEMBL8568938

SCHEMBL8568938

Nc1cncc(SCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.49
GSTM2 P28161 2/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 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
HPGD P15428 1/20 0.41
EGFR P00533 1/20 0.39

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
SCHEMBL22531432 0.84 POLB (0.62) GSTP1GSTM2POLBALDH1A1MEN1
SCHEMBL8564450 0.75 MAPT (0.41) POLBALDH1A1SMN1; SMN2MAPTCA1
SCHEMBL8562706 0.75 MEN1 (0.50) GSTP1GSTM2POLBALDH1A1MEN1
SCHEMBL8567672 0.75 MEN1 (0.60) GSTP1GSTM2POLBALDH1A1MEN1
SCHEMBL8563127 0.74 MEN1 (0.59) GSTP1GSTM2POLBALDH1A1MEN1
SCHEMBL8599537 0.74 KMT2A (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18708571 0.73 GSTP1 (0.52) GSTP1GSTM2POLBALDH1A1MEN1
SCHEMBL15155567 0.72 CYP3A4 (0.55) GSTP1GSTM2POLBALDH1A1MEN1
SCHEMBL8566312 0.72 MAPT (0.53) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8566919 0.72 MGMT (0.53) MEN1KMT2AMAPTHTTMGMT

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