SCHEMBL8561307

SCHEMBL8561307

COC/C=C/c1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MGMT P16455 4/20 0.33
USP2 O75604 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NPY1R P25929 1/20 0.32
MAPT P10636 5/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
NOD2 Q9HC29 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL8561311 1.00 MEN1 (0.35) MEN1KMT2AMGMTUSP2KEAP1
SCHEMBL8568101 0.80 KMT2A (0.38) MEN1KMT2AMGMTMAPTLMNA
SCHEMBL8568096 0.80 KMT2A (0.38) MEN1KMT2AMGMTMAPTLMNA
SCHEMBL8567655 0.78 MEN1 (0.40) MEN1KMT2AMGMTUSP2KEAP1
SCHEMBL8567654 0.78 MEN1 (0.40) MEN1KMT2AMGMTUSP2KEAP1
SCHEMBL8599262 0.75 KMT2A (0.33) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8599258 0.75 KMT2A (0.33) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8566360 0.74 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8566358 0.74 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8565832 0.74 TAAR1 (0.50) MEN1KMT2ANFE2L2NPY1RMAPT

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