SCHEMBL19015952

SCHEMBL19015952

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 15/20 0.39
▸ PSMB5 P28074 11/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.35
▸ NPY5R Q15761 1/20 0.35

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
SCHEMBL7886070 0.91 CASP3 (0.46) PSMB8PSMB5CASP3CASP1CASP7
SCHEMBL7887004 0.81 CASP3 (0.53) PSMB8PSMB5CASP3CASP1CASP7
SCHEMBL18472733 0.80 CASP3 (0.59) PSMB8PSMB5CASP3CASP1CASP7
SCHEMBL7880525 0.80 CASP3 (0.59) PSMB8PSMB5CASP3CASP1CASP7
SCHEMBL19015805 0.79 CASP3 (0.58) CASP3CASP1CASP7CASP9ADAMTS4
SCHEMBL19015891 0.75 NPY5R (0.41) PSMB8PSMB5ADAMTS4NPY5R
SCHEMBL19015948 0.75 NPY5R (0.49) PSMB8PSMB5ADAMTS4NPY5R
SCHEMBL19015900 0.72 CASP3 (0.51) PSMB8PSMB5CASP3CASP1CASP7
SCHEMBL18782302 0.71 CASP3 (0.45) CASP3CASP1CASP7CASP9ADAMTS4
SCHEMBL18782015 0.70 CASP3 (0.66) PSMB5CASP3CASP1CASP7CASP9

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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