SCHEMBL20052392

SCHEMBL20052392

CS(=O)(=O)/C=C/[C@H](Cc1nnn[nH]1)NC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 10/20 0.46
▸ CASP7 P55210 7/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP4 P49662 1/20 0.41
▸ FUCA1 P04066 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PSMB8 P28062 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ PSMB10 P40306 1/20 0.39
▸ PSMB2 P49721 1/20 0.39

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
SCHEMBL20052419 1.00 CASP3 (0.46) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20356004 0.92 CASP3 (0.45) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052411 0.82 CASP3 (0.66) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18472720 0.82 CASP3 (0.66) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052415 0.80 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18472718 0.80 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052436 0.80 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015955 0.80 CASP3 (0.68) CASP3CASP7CASP1CASP9CASP4
SCHEMBL8259050 0.78 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052382 0.76 CASP3 (0.78) CASP3CASP7CASP1CASP9CASP4

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
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 — — US disclosed
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