SCHEMBL6212431

SCHEMBL6212431

Cc1c(C(=O)NC2(C(=O)N([C@H]3CC[C@@H](C)NCC3=O)S(=O)(=O)c3ccccn3)CCCCC2)oc2cccnc12

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSL P07711 4/20 0.31
CTSK P43235 4/20 0.31
CTSS P25774 3/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
NPC1 O15118 2/20 0.30
TP53 P04637 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6211256 0.89 RAB9A (0.31) RAB9AHPGDTSHRHSD17B10LMNA
SCHEMBL6211960 0.85 CTSK (0.40) RAB9ACTSLCTSKCTSSNPC1
SCHEMBL6587803 0.81 RAB9A (0.40) RAB9AHPGDTSHRHSD17B10LMNA
SCHEMBL6210362 0.81 CTSK (0.40) CTSLCTSKCTSS
SCHEMBL6600629 0.78 HDAC3 (0.31) CTSLCTSKCTSSGAA
SCHEMBL6601255 0.76 CTSL (0.30) CTSLCTSKCTSS
SCHEMBL6601774 0.76
SCHEMBL6673927 0.73 CTSK (0.39) RAB9ACTSLCTSKCTSSNPC1
SCHEMBL6213602 0.73 CTSK (0.39) RAB9ACTSLCTSKCTSSNPC1
SCHEMBL6843710 0.73 CTSK (0.51) CTSLCTSKCTSS

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-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed