SCHEMBL19015805

SCHEMBL19015805

Cc1ccc(S(=O)(=O)NC(Cc2ccc3ccccc3n2)C(=O)NC(C(=O)NC(/C=C(\Cl)[S+](C)[O-])CC(=O)O)C(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 14/20 0.58
▸ CASP7 P55210 10/20 0.58
▸ CASP9 P55211 3/20 0.58
▸ CASP1 P29466 3/20 0.58
▸ ADAMTS4 O75173 3/20 0.43
▸ CASP10 Q92851 1/20 0.40
▸ GFER P55789 1/20 0.36

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
SCHEMBL7886597 0.91 CASP3 (0.69) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL18471652 0.91 CASP3 (0.69) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL7890390 0.81 ADAMTS4 (0.57) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL18473182 0.81 ADAMTS4 (0.57) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL18472733 0.81 CASP3 (0.59) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL7880525 0.81 CASP3 (0.59) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL18782168 0.80 CASP3 (0.48) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL19015952 0.79 PSMB8 (0.39) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL7887004 0.78 CASP3 (0.53) CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL7966457 0.76 ADAMTS4 (0.47) CASP3CASP7CASP9CASP1ADAMTS4

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-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
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