SCHEMBL9028859

SCHEMBL9028859

CCOC(=O)C#N.CCOC(=O)c1nc(-c2ccc(OC)cc2)ns1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
ALDH1A1 P00352 6/20 0.54
TP53 P04637 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
TARBP2 Q15633 2/20 0.45
PDCD4 Q53EL6 1/20 0.45
RXFP1 Q9HBX9 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
HSP90AA1 P07900 1/20 0.43
PTPN11 Q06124 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL1425605 0.92 MAPT (0.61) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL4114732 0.80 ALDH1A1 (0.51) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL12811588 0.80 NPC1 (0.59) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL14527733 0.79 ALDH1A1 (0.45) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL1425588 0.79 PPARA (0.49) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL18614346 0.78 MAPT (0.54) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL1426050 0.78 MAPT (0.52) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL16370488 0.78 ALDH1A1 (0.59) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL1425593 0.76 ALDH1A1 (0.51) ALDH1A1HSP90AA1MEN1KMT2AL3MBTL1
SCHEMBL4101439 0.76 PPARD (0.44) MAPTALDH1A1TP53HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726261-A1 Herbidical 1,2,4 thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed