SCHEMBL8596381

SCHEMBL8596381

CCCCCS(=O)(=O)c1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 7/20 0.49
GSR P00390 1/20 0.49
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPY1R P25929 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
CYP19A1 P11511 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
VCAM1 P19320 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL8626136 0.81 CYP19A1 (0.38) TXNRD1MAPTSMN1; SMN2GAACYP19A1
SCHEMBL8597463 0.81 HTT (0.39) MEN1KMT2ALMNAHTTMAPT
SCHEMBL8600998 0.79 TXNRD1 (0.43) TXNRD1GSRMEN1KMT2ALMNA
SCHEMBL18497232 0.77 TXNRD1 (0.56) TXNRD1GSRMEN1KMT2AHPGD
SCHEMBL8599154 0.76 TXNRD1 (0.61) TXNRD1GSRMEN1KMT2AALDH1A1
SCHEMBL8601717 0.76 ALDH1A1 (0.36) MEN1KMT2ALMNAHTTNPY1R
SCHEMBL8567904 0.75 CA2 (0.39) MEN1KMT2ANPY1RMAPTUSP2
SCHEMBL8597378 0.75 MEN1 (0.41) MEN1KMT2ALMNAHTTNPY1R
SCHEMBL8569457 0.75 TXNRD1 (0.49) TXNRD1GSRMEN1KMT2ALMNA
SCHEMBL2683501 0.74 NSD2 (0.38) MEN1KMT2ANPY1RKDM4EMAPT

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