SCHEMBL8599530

SCHEMBL8599530

C=CCN(CC=C)S(=O)(=O)c1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
VCAM1 P19320 1/20 0.36
POLB P06746 1/20 0.35
HPRT1 P00492 1/20 0.35
GUSB P08236 1/20 0.35
F2 P00734 1/20 0.35
C1R P00736 1/20 0.35

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
SCHEMBL8599781 0.81 KMT2A (0.42) MEN1KMT2AHTTTSHRMAPK1
SCHEMBL8596917 0.79 KMT2A (0.43) MEN1KMT2AHTTTSHRMAPK1
SCHEMBL8628924 0.79 PIM1 (0.37) MEN1KMT2ATSHRMAPK1PIM1
SCHEMBL8600738 0.79 MEN1 (0.40) MEN1KMT2AHTTTSHRMAPK1
SCHEMBL8598709 0.78 KMT2A (0.40) MEN1KMT2ATSHRMAPK1PIM1
SCHEMBL8596309 0.76 MEN1 (0.38) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL8562084 0.75 MEN1 (0.44) MEN1KMT2ATSHRMAPK1PIM1
SCHEMBL8566957 0.75 MAPT (0.46) MEN1KMT2ATSHRMAPK1PIM1
SCHEMBL8596283 0.74 MEN1 (0.37) MEN1KMT2AHTTTSHRMAPK1
SCHEMBL8596304 0.74 MAPT (0.38) MEN1KMT2AHTTTSHRMAPK1

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