SCHEMBL5140329

SCHEMBL5140329

CC(Oc1cc(Cl)ncn1)=C(C(=O)O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
CYP1A2 P05177 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
KMO O15229 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32

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
SCHEMBL5140327 0.77 L3MBTL1 (0.37) L3MBTL1KDM4CKCNQ3KCNQ2SMN1; SMN2
SCHEMBL27820544 0.74 KDM4E (0.38) L3MBTL1KMOSMN1; SMN2MAPTALDH1A1
SCHEMBL709626 0.74 ALDH1A1 (0.44) CYP1A2SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL709625 0.73 ALDH1A1 (0.40) CYP1A2KMOSMN1; SMN2MAPTALDH1A1
SCHEMBL3660791 0.72 KMO (0.38) KMO
SCHEMBL31387110 0.72 KMT2A (0.47) CYP1A2L3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL26119999 0.72 KMT2A (0.47) CYP1A2L3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL6204762 0.71 ELANE (0.53) ELANECYP1A2L3MBTL1CES2CES1
SCHEMBL8975527 0.70 TSHR (0.56) ELANECYP1A2L3MBTL1CES2CES1
SCHEMBL1742128 0.69 KMO (0.35) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891020-A2 PROCESSES FOR THE PREPARATION OF AZOXYSTROBIN USING DABCO AS A CATALYST AND NOVEL INTERMEDIATES USED IN THE PROCESSES Syngenta Limited (GB) 2008-02-27 EP disclosed
WO-2006114572-A2 PROCESSES FOR THE PREPARATION OF AZOXYSTROBIN USING DABCO AS A CATALYST AND NOVEL INTERMEDIATES USED IN THE PROCESSES SYNGENTA LIMITED (GB) 2006-11-02 WO disclosed