SCHEMBL4765494

SCHEMBL4765494

Cc1c(C(=O)NC(CC(C)C)C(=O)N([C@H]2CCCNCC2=O)S(=O)(=O)c2ccccn2)oc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.40
CTSL P07711 15/20 0.40
CTSS P25774 11/20 0.40
CTSB P07858 3/20 0.40
CTSV O60911 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 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
SCHEMBL4762064 0.91 RAB9A (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763179 0.89 NPC1 (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770541 0.87 NPC1 (0.36) CTSKNPC1RAB9ASMN1; SMN2
SCHEMBL4825080 0.87 L3MBTL1 (0.39) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4825088 0.87 L3MBTL1 (0.39) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4768763 0.87 RXFP1 (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL4768759 0.87 RXFP1 (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL4763006 0.86 NPC1 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL4761996 0.86 MAPT (0.43) NPC1RAB9ATP53
SCHEMBL4761995 0.86 MAPT (0.43) NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed