SCHEMBL8010090

SCHEMBL8010090

CON=C(C#N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 8/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 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
SCHEMBL8010086 1.00 ALDH1A1 (0.51) ALDH1A1CES2CES1MAPTMEN1
SCHEMBL8026060 0.82 CES2 (0.56) ALDH1A1CES2CES1MAPTMEN1
SCHEMBL8026063 0.82 CES2 (0.56) ALDH1A1CES2CES1MAPTMEN1
SCHEMBL15851064 0.80 ALDH1A1 (0.61) ALDH1A1CES2CES1MAPTMEN1
SCHEMBL14974757 0.76 ALDH1A1 (0.53) ALDH1A1CES2CES1MAPTMEN1
SCHEMBL8020551 0.75 F2 (0.40) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL8020555 0.75 F2 (0.40) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL5150143 0.74 CES2 (0.66) ALDH1A1CES2CES1MAPTMEN1
SCHEMBL8848886 0.73 PLA2G7 (0.47) ALDH1A1CES2CES1MAPTPOLB
SCHEMBL8441573 0.73 PLA2G7 (0.47) ALDH1A1CES2CES1MAPTPOLB

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