SCHEMBL6168844

SCHEMBL6168844

CSc1ccc(CC(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PLAU P00749 1/20 0.51
SRD5A2 P31213 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HAO1 Q9UJM8 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
SMO Q99835 1/20 0.46
TBXA2R P21731 1/20 0.46

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
SCHEMBL3939694 0.93 MAPT (0.61) MAPTL3MBTL1PLAUSRD5A2NPC1
SCHEMBL6386624 0.88 SRD5A2 (0.57) MAPTL3MBTL1SRD5A2NPC1RAB9A
SCHEMBL27531669 0.87 USP2 (0.45) MAPTL3MBTL1PLAUSRD5A2NPC1
SCHEMBL3282626 0.85 MAPT (0.55) MAPTL3MBTL1PLAUSRD5A2NPC1
SCHEMBL7199268 0.84 MAPT (0.67) MAPTL3MBTL1PLAUSRD5A2NPC1
SCHEMBL7832348 0.84 NPC1 (0.65) MAPTL3MBTL1NPC1RAB9AHAO1
SCHEMBL4239287 0.84 MAPT (0.53) MAPTL3MBTL1PLAUSRD5A2NPC1
SCHEMBL6513182 0.83 HSP90AA1 (0.49) MAPTL3MBTL1SRD5A2NPC1RAB9A
SCHEMBL7850760 0.83 RAB9A (0.68) MAPTL3MBTL1NPC1RAB9AHAO1
SCHEMBL7832647 0.83 HSP90AA1 (0.49) MAPTL3MBTL1SRD5A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-1181284-B1 DIPHENYL-1,2,3-THIADIAZOL-3-OXIDES, COMPOSITIONS AND METHODS OF USE MERCK FROSST CANADA INC (CA) 2003-07-16 EP disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
EP-1181284-A1 DIPHENYL-1,2,3-THIADIAZOL-3-OXIDES, COMPOSITIONS AND METHODS OF USE MERCK FROSST CANADA INC. (CA) 2002-02-27 EP disclosed
EP-0802917-B1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC (CA) 2001-11-07 EP disclosed
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-6211210-B1 DRUGS, ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS AND ANTICARCINOGENIC AGENTS MERCK FROSST CANADA & CO. (CA) 2001-04-03 US disclosed
WO-2000068215-A1 DIPHENYL-1,2,3-THIADIAZOL-3-OXIDES, COMPOSITIONS AND METHODS OF USE MERCK FROSST CANADA & CO. (CA) 2000-11-16 WO disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5552422-A Aryl substituted 5,5 fused aromatic nitrogen compounds as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed