SCHEMBL4046591

SCHEMBL4046591

CC(C)(C)CC(NC(=O)Oc1csc2ccccc12)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL4214125 0.90 CTSS (0.38) CTSK
SCHEMBL4042603 0.90 CTSK (0.35) CTSK
SCHEMBL4052140 0.89 HSD17B10 (0.36) CTSKMEN1KMT2A
SCHEMBL4044148 0.86 CTSK (0.42) CTSK
SCHEMBL4045409 0.85 CTSK (0.35) CTSK
SCHEMBL4046569 0.83 CTSK (0.35) CTSK
SCHEMBL4041626 0.83 CTSK (0.34) CTSKUSP2KMT2A
SCHEMBL4040755 0.82 CTSK (0.35) CTSK
SCHEMBL4045645 0.82 SMYD3 (0.34) CTSKKMT2A
SCHEMBL4051458 0.82 CTSK (0.36) CTSK

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed