SCHEMBL8623864

SCHEMBL8623864

CONC(c1cccc(Cl)c1)C(C)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
PDE1B Q01064 2/20 0.36
ACP3 P15309 1/20 0.36
MAPK1 P28482 2/20 0.36
AOC3 Q16853 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 4/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
FBP1 P09467 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL8627417 0.84 MAPK1 (0.49) CASRMAPK1AOC3MEN1KMT2A
SCHEMBL8629375 0.82 TDP1 (0.45) ALDH1A1TDP1ACP3MAPK1MEN1
SCHEMBL8625688 0.80 FBP1 (0.38) MAPK1FBP1
SCHEMBL2977142 0.78 LMNA (0.41) ALDH1A1TDP1MAPK1MEN1KMT2A
SCHEMBL28911425 0.70 ALDH1A1 (0.52) ALDH1A1TDP1ACP3MAPK1AOC3
SCHEMBL8625790 0.69 PRMT1 (0.43) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL5716680 0.69 ALDH1A1 (0.50) ALDH1A1TDP1ACP3MAPK1AOC3
SCHEMBL8918321 0.67 KMT2A (0.37) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL24105694 0.67 AOC3 (0.44) CASRALDH1A1TDP1ACP3MAPK1
SCHEMBL13986540 0.67 CNR1 (0.48) ALDH1A1TDP1ACP3MAPK1AOC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672646-B1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL CO (JP) 1998-06-10 EP disclosed
US-5639895-A Process for producing β-nitroenamine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
US-5597940-A REACTING NITROOLEFIN WITH HYDROXYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-28 US disclosed
EP-0672646-A1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-09-20 EP disclosed