SCHEMBL8026063

SCHEMBL8026063

N#CC(=NO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
TP53 P04637 1/20 0.54
ALDH1A1 P00352 6/20 0.53
TSHR P16473 4/20 0.53
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
LMNA P02545 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL8026060 1.00 CES2 (0.56) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8010090 0.82 ALDH1A1 (0.51) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8010086 0.82 ALDH1A1 (0.51) CES2CES1TP53ALDH1A1TSHR
SCHEMBL5150143 0.82 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR
SCHEMBL14790553 0.80 CES1 (0.50) CES2CES1ALDH1A1TSHRLMNA
SCHEMBL31388927 0.78 CES2 (0.59) CES2CES1TP53ALDH1A1TSHR
Water SCHEMBL11590842 0.78 ALDH1A1 (0.65) CES2CES1TP53ALDH1A1TSHR
SCHEMBL5484238 0.76 ALDH1A1 (0.67) CES2CES1TP53ALDH1A1TSHR
SCHEMBL5484236 0.76 ALDH1A1 (0.67) CES2CES1TP53ALDH1A1TSHR
SCHEMBL30999888 0.76 TSHR (0.67) CES2CES1TP53ALDH1A1TSHR

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
CN-1251575-A Oxime ether compounds, their use and intermediates for preparing same SUMITOMO CHEMICAL CO (JP) 2000-04-26 CN disclosed
EP-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed