SCHEMBL8596309

SCHEMBL8596309

C=CCN(CC=C)S(=O)(=O)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALOX12 P18054 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
ERN1 O75460 1/20 0.33
NPY1R P25929 1/20 0.32

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
SCHEMBL8598588 0.81 POLB (0.40) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8628610 0.79 POLB (0.38) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8599584 0.79 MEN1 (0.39) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8598975 0.78 POLB (0.41) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8596304 0.77 MAPT (0.38) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8596283 0.77 MEN1 (0.37) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8599530 0.76 MEN1 (0.41) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8560319 0.75 POLB (0.46) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8562402 0.75 POLB (0.46) MEN1KMT2AHTTTSHRPOLB
SCHEMBL8597641 0.74 KDM4E (0.41) MEN1KMT2AHTTTSHRPOLB

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