SCHEMBL8724264

SCHEMBL8724264

CCCSc1c(Cl)ccc(C(=O)C(C#N)C(=O)C2CC2)c1SC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSK P43235 1/20 0.30

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
SCHEMBL8726634 0.92 CTSK (0.33) ALDH1A1ALOX15CTSK
SCHEMBL8609547 0.83 HPGD (0.30) HPGD
SCHEMBL8725815 0.82 HPGD (0.30) HPGD
SCHEMBL8609420 0.81 USP2 (0.31) HPGD
SCHEMBL8953554 0.80
SCHEMBL8604618 0.77 EGFR (0.32)
SCHEMBL8725793 0.77 KMT2A (0.34) HPGDKMT2AHSD17B10
SCHEMBL8607183 0.75
SCHEMBL8607601 0.74 HPGD (0.40) ALDH1A1HPGDTSHRKMT2AHSD17B10
SCHEMBL8607103 0.74 CTSK (0.35) MEN1ALDH1A1KMT2ACTSK

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