SCHEMBL8600533

SCHEMBL8600533

C=CCN(CC=C)S(=O)(=O)c1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
NPY1R P25929 6/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PKM P14618 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8601717 0.80 ALDH1A1 (0.36) TDP1KDM4EMEN1KMT2AHTT
SCHEMBL8598387 0.80 KDM4E (0.38) TDP1POLBKDM4EMEN1KMT2A
SCHEMBL8600118 0.79 MEN1 (0.33) KDM4EMEN1KMT2AHTTLMNA
SCHEMBL8599491 0.77 HIF1A (0.39) MEN1KMT2AHTTTSHRLMNA
SCHEMBL8627058 0.77 CA12 (0.35) TDP1MEN1KMT2ATSHRNPY1R
SCHEMBL8598070 0.76 MEN1 (0.51) TDP1POLBKDM4EMEN1KMT2A
SCHEMBL8600588 0.74 KDM4E (0.38) TDP1POLBKDM4EMEN1KMT2A
SCHEMBL8567904 0.74 CA2 (0.39) MEN1KMT2ANPY1RMAPTUSP2
SCHEMBL2683501 0.73 NSD2 (0.38) TDP1KDM4EMEN1KMT2ATSHR
SCHEMBL8599145 0.73 KDM4E (0.36) TDP1POLBKDM4EMEN1KMT2A

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