SCHEMBL6587803

SCHEMBL6587803

Cc1c(C(=O)NC2(C(=O)N(C3CCCNCC3=O)S(=O)(=O)c3ccccn3)CCCC2)oc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.40
NPC1 O15118 11/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL6673927 0.83 CTSK (0.39) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL4765494 0.82 CTSK (0.40) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL6212431 0.81 RAB9A (0.31) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL6606438 0.76 HDAC3 (0.32)
SCHEMBL6601849 0.76 HDAC3 (0.32)
SCHEMBL6604651 0.75 PSEN1 (0.33)
SCHEMBL6604194 0.75 PSEN1 (0.33)
SCHEMBL6601992 0.74
SCHEMBL6601931 0.73
SCHEMBL6211960 0.73 CTSK (0.40) RAB9ANPC1SMN1; SMN2TP53

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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP claimed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed