SCHEMBL739660

SCHEMBL739660

c1ccc(-c2cnoc2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.61
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR55 Q9Y2T6 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
AKT1 P31749 1/20 0.36

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
SCHEMBL1218666 0.84 MEN1 (0.53) TDO2MAPTL3MBTL1TUBB4ATUBB
SCHEMBL23596809 0.83 TDO2 (0.49) TDO2MAPTL3MBTL1GPR55TUBB4A
SCHEMBL5782694 0.82 TDO2 (0.47) TDO2MAPTL3MBTL1TUBB4ATUBB
SCHEMBL31213506 0.82 CA2 (0.56) TDO2LMNA
SCHEMBL23596603 0.81 TDO2 (0.46) TDO2MAPTL3MBTL1GPR55TUBB4A
SCHEMBL4448263 0.81 HPGD (0.50) TDO2MAPTL3MBTL1LMNA
SCHEMBL23596950 0.80 TDO2 (0.46) TDO2MAPTL3MBTL1GPR55
SCHEMBL23596152 0.78 TDO2 (0.44) TDO2MAPTL3MBTL1GPR55
SCHEMBL23596535 0.78 TDO2 (0.47) TDO2MAPTL3MBTL1TUBB4ATUBB
SCHEMBL23596934 0.77 TDO2 (0.46) TDO2MAPTL3MBTL1GPR55TUBB4A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349180-B 4, 5-diphenyl isoxazole derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-05-19 CN claimed
CN-106349180-A 4,5-diphenyl isoxazole derivative as well as preparation method and application thereof 上海翰森生物医药科技有限公司 2017-01-25 CN claimed
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP claimed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO claimed
CN-106349180-B 4, 5-diphenyl isoxazole derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-05-19 CN disclosed
CN-106349180-B 4, 5-diphenyl isoxazole derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-05-19 CN disclosed
CN-106349180-B 4, 5-diphenyl isoxazole derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-05-19 CN disclosed
CN-107095867-B Application of HSP90 inhibitor in preparation of medicine for preventing and treating aortic disease 上海长海医院 2020-01-17 CN disclosed
CN-107095867-A A kind of HSP90 inhibitor is preparing the purposes in preventing and treating arotic disease medicine 上海长海医院 2017-08-29 CN disclosed
CN-106349180-A 4,5-diphenyl isoxazole derivative as well as preparation method and application thereof 上海翰森生物医药科技有限公司 2017-01-25 CN disclosed
CN-106349180-A 4,5-diphenyl isoxazole derivative as well as preparation method and application thereof 上海翰森生物医药科技有限公司 2017-01-25 CN disclosed
CN-106349180-A 4,5-diphenyl isoxazole derivative as well as preparation method and application thereof 上海翰森生物医药科技有限公司 2017-01-25 CN disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed