SCHEMBL6983909

SCHEMBL6983909

CCOC(=O)c1csc(-c2cccc3ccccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.53
HTR2C P28335 1/20 0.52
CYP1A2 P05177 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2C19 P33261 1/20 0.50
MAOA P21397 1/20 0.49
ACHE P22303 1/20 0.49
CDC25B P30305 1/20 0.49
CLK1 P49759 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL7380938 0.87 RAB9A (0.56) RAB9ANPC1MAPTPOLBPKM
SCHEMBL7675971 0.86 MAPT (0.56) RAB9ANPC1MAPTPOLBPKM
SCHEMBL15754817 0.85 RAB9A (0.60) RAB9ANPC1MAPTPOLBPKM
SCHEMBL13548675 0.84 RAB9A (0.56) RAB9ANPC1MAPTPOLBPKM
SCHEMBL6224829 0.84 RAB9A (0.61) RAB9ANPC1MAPTPOLBPKM
SCHEMBL2551417 0.84 HTR2B (0.61) RAB9ANPC1MAPTPOLBPKM
SCHEMBL5896297 0.83 RAB9A (0.61) RAB9ANPC1MAPTPOLBPKM
SCHEMBL3436031 0.83 RAB9A (0.68) RAB9ANPC1MAPTPOLBPKM
SCHEMBL7473845 0.83 MAPT (0.53) RAB9ANPC1MAPTPOLBPKM
SCHEMBL5337599 0.82 RAB9A (0.56) RAB9ANPC1MAPTPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed