SCHEMBL5140328

SCHEMBL5140328

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.35
EGFR P00533 3/20 0.34
ERBB3 P21860 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
CTSA P10619 1/20 0.33
MAPK14 Q16539 2/20 0.32
MITF O75030 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
SCHEMBL5140329 0.85 ELANE (0.34) L3MBTL1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5140327 0.79 L3MBTL1 (0.37) L3MBTL1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28765809 0.76 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6206065 0.74 TSHR (0.47) L3MBTL1TSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1934857 0.72 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL27075764 0.71 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL709626 0.71 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL3660791 0.69 KMO (0.38)
SCHEMBL4306278 0.69 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL31387110 0.69 KMT2A (0.47) L3MBTL1SMN1; SMN2ALDH1A1KDM4ERAB9A

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