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Sugi Predict / Compounds / SCHEMBL4219672

SCHEMBL4219672

SCHEMBL4219672

Cc1ccc(CC(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.64
▸ CTSS P25774 3/20 0.48
▸ ACE P12821 9/20 0.42
▸ ACE2 Q9BYF1 6/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ CTSV O60911 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ GCGR P47871 1/20 0.38

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
SCHEMBL5941801 1.00 CTSK (0.64) CTSKCTSSACEACE2KMT2A
SCHEMBL4219670 1.00 CTSK (0.64) CTSKCTSSACEACE2KMT2A
SCHEMBL5941807 1.00 CTSK (0.64) CTSKCTSSACEACE2KMT2A
SCHEMBL5941898 0.90 CTSK (0.80) CTSKCTSSKMT2AMEN1CTSV
SCHEMBL4215397 0.90 CTSK (0.80) CTSKCTSSKMT2AMEN1CTSV
SCHEMBL5941894 0.90 CTSK (0.80) CTSKCTSSKMT2AMEN1CTSV
SCHEMBL4042814 0.90 CTSK (0.80) CTSKCTSSKMT2AMEN1CTSV
SCHEMBL4043376 0.85 CTSK (0.56) CTSKCTSSACEACE2KMT2A
SCHEMBL4046339 0.84 CTSK (0.55) CTSKCTSSACEKMT2AMEN1
SCHEMBL4228118 0.84 CTSK (0.79) CTSKCTSSACEACE2KMT2A

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 disclosed