SCHEMBL8629375

SCHEMBL8629375

CONC(c1ccccc1)C(C)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GSR P00390 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
ACP3 P15309 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8918321 0.83 KMT2A (0.37) TDP1KMT2AMAPTKDM4ENPSR1
SCHEMBL8627417 0.83 MAPK1 (0.49) KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL8623864 0.82 CASR (0.39) TDP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL24612781 0.80 ALDH1A1 (0.43) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL25890712 0.80 ALDH1A1 (0.43) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL8625688 0.79 FBP1 (0.38) MAPK1
SCHEMBL2007842 0.73 KDM4E (0.43) TDP1KMT2AMAPTKDM4ENPSR1
SCHEMBL8625790 0.73 PRMT1 (0.43) TDP1KMT2AMAPTKDM4EMEN1
SCHEMBL11743677 0.72 KMT2A (0.50) TDP1KMT2AMAPTKDM4ENPSR1
Potassium Ion SCHEMBL11297820 0.72 KDM4E (0.42) TDP1KMT2AMAPTKDM4ENPSR1

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