SCHEMBL8596283

SCHEMBL8596283

C=CCN(CC=C)S(=O)(=O)c1c(N)c([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
HTT P42858 3/20 0.37
TSHR P16473 1/20 0.37
C1R P00736 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
ESR1 P03372 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALOX12 P18054 2/20 0.32
GLA P06280 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
NQO2 P16083 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
SCHEMBL8596304 0.84 MAPT (0.38) MEN1KMT2AHTTTSHRC1R
SCHEMBL8598811 0.82 KMT2A (0.40) MEN1KMT2AHTTTSHRC1R
SCHEMBL8598530 0.80 KDM4E (0.37) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL8599396 0.80 ESR1 (0.38) MEN1KMT2AHTTTSHRC1R
SCHEMBL8624593 0.80 MAPT (0.35) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL8602467 0.79 KDM4E (0.35) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL8562352 0.78 KDM4E (0.41) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL8596309 0.77 MEN1 (0.38) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL8566049 0.76 KDM4E (0.40) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL8598395 0.75 ALDH1A1 (0.40) MEN1KMT2AHTTTSHRALDH1A1

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