SCHEMBL2931018

SCHEMBL2931018

CC(Oc1cc(Cl)nc(Cl)c1)C(=O)S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
OGG1 O15527 1/20 0.36
S1PR2 O95136 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL1360586 0.76 MAPT (0.33) MAPTKMT2AL3MBTL1MEN1OGG1
SCHEMBL1360975 0.76 OGG1 (0.35) MAPTKMT2AL3MBTL1MEN1OGG1
SCHEMBL1701447 0.74 CYP1A2 (0.55) KMT2AMEN1CYP1A2ALDH1A1GAA
SCHEMBL11440603 0.70 CYP1A2 (0.51) KMT2AMEN1CYP1A2LMNASMN1; SMN2
SCHEMBL1360976 0.70 L3MBTL1 (0.35) MAPTKMT2AL3MBTL1MEN1S1PR2
SCHEMBL10875381 0.69 GAA (0.56) KMT2AMEN1TDP1CYP1A2GAA
SCHEMBL6982295 0.68 S1PR2 (0.44) MAPTKMT2AL3MBTL1MEN1S1PR2
SCHEMBL1360614 0.66 ATAD2 (0.45) MAPTKMT2AL3MBTL1MEN1TDP1
SCHEMBL1359907 0.66 PDE1C (0.42) MAPTALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL17923137 0.66 CRHR1 (0.35) MAPTKMT2AMEN1S1PR2ALDH1A1

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
EP-1638928-B1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LTD (GB) 2010-09-29 EP disclosed
EP-1638928-A1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES Syngenta Limited (GB) 2006-03-29 EP disclosed
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 WO disclosed