Sugi Predict

Sugi Predict / Compounds / SCHEMBL6073060

SCHEMBL6073060

SCHEMBL6073060

O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cn[nH]c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 19/20 0.57
▸ CTSL P07711 15/20 0.57
▸ CTSS P25774 15/20 0.57
▸ CTSB P07858 5/20 0.57
▸ CTSV O60911 1/20 0.56

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
SCHEMBL6740265 0.88 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740268 0.88 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7015060 0.87 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5983402 0.84 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5983410 0.84 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL8337747 0.84 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6072824 0.84 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7095942 0.83 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14040700 0.82 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131372 0.82 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006505526-A — — 2006-02-16 — — JP claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 — — EP claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 — — WO claimed