SCHEMBL8729926

SCHEMBL8729926

COC(=O)c1ccc(OC)c(SC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA12 O43570 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
XDH P47989 1/20 0.49

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
SCHEMBL15786223 0.85 MAPT (0.57) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL10804813 0.84 ALDH1A1 (0.51) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4455295 0.84 CA1 (0.65) KDM4EHTTLMNAALDH1A1CA1
SCHEMBL21374189 0.81 ALDH1A1 (0.57) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9667921 0.81 KDM4E (0.77) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL30037411 0.80 MAPT (0.51) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL3549964 0.80 MAPT (0.51) MAPTKMT2AMEN1SMN1; SMN2KDM4E
Veratric Acid Methyl Ester SCHEMBL29573244 0.80 MAPT (0.86) MAPTKMT2AMEN1SMN1; SMN2KDM4E
Veratric Acid Methyl Ester SCHEMBL2050732 0.80 MAPT (0.86) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL17593678 0.79 KDM4E (0.57) MAPTKMT2AMEN1SMN1; SMN2KDM4E

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-0625508-B1 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-08-19 EP disclosed
EP-0625508-A2 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed