SCHEMBL8726634

SCHEMBL8726634

CCSc1c(Cl)ccc(C(=O)C(C#N)C(=O)C2CC2)c1SC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8724264 0.92 MEN1 (0.32) CTSKALDH1A1ALOX15
SCHEMBL8609547 0.85 HPGD (0.30) SMN1; SMN2
SCHEMBL8725815 0.84 HPGD (0.30) SMN1; SMN2
SCHEMBL8609420 0.83 USP2 (0.31)
SCHEMBL8604618 0.79 EGFR (0.32)
SCHEMBL8607103 0.78 CTSK (0.35) CTSKALDH1A1MAPK1SMN1; SMN2
SCHEMBL8607183 0.77
SCHEMBL8953554 0.77
SCHEMBL8607601 0.76 HPGD (0.40) ALDH1A1SMN1; SMN2
SCHEMBL8953184 0.75 NOTUM (0.36)

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 4 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 claimed
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 claimed
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