SCHEMBL8731588

SCHEMBL8731588

COc1cccc(C2=NCCO2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.51
▸ DYRK1A Q13627 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ADRA2A P08913 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TDO2 P48775 1/20 0.43

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
SCHEMBL105809 0.82 NPC1 (0.41) NISCHNPC1ADRA2ASMN1; SMN2
SCHEMBL13517962 0.80 KCNH2 (0.50) NISCHRAB9ANPC1HPGDKDM4E
SCHEMBL20410845 0.79 NPC1 (0.39) NISCHNPC1SMN1; SMN2
SCHEMBL7459026 0.79 KCNH2 (0.45) —
SCHEMBL1338566 0.78 NISCH (0.47) NISCHRAB9ANPC1HPGDKMT2A
SCHEMBL27260114 0.76 NISCH (0.46) NISCHNPC1ADRA2AMAOASMN1; SMN2
Carbimide SCHEMBL29055881 0.76 NPC1 (0.37) NISCHNPC1SMN1; SMN2
SCHEMBL10520530 0.76 KCNH2 (0.38) NPC1SMN1; SMN2
SCHEMBL23054974 0.75 KCNH2 (0.37) NPC1
SCHEMBL29364765 0.75 CHRNB4 (0.47) RAB9ANPC1HPGDKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103003231-A Novel method for preparing phenylcyclopropylamine derivatives and use thereof for preparing ticagrelor ACTAVIS GROUP PTC EHF 2013-03-27 — — CN disclosed
CN-101255209-A Diene polymer and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-09-03 — — CN disclosed
CN-100408553-C Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the same SUMITOMO CHEMICAL CO (JP) 2008-08-06 — — CN disclosed
CN-1898196-A Process for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 — — CN disclosed
CN-1259322-C Asymmetric copper compound and cyclopropanation reaction with it SUMITOMO CHEMICAL CO (JP) 2006-06-14 — — CN disclosed
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 — — CN disclosed
CN-1231456-C Process for preparing optically active cyclopropyl carboxylic acid derivative SUMITOMO CHEMICAL CO (JP) 2005-12-14 — — CN disclosed
CN-1480448-A Process for preparing optically active cyclopropyl carboxylic acid derivative ס�ѻ�ѧ��ҵ��ʽ���� 2004-03-10 — — CN disclosed
CN-1134422-C Optically active bisoxazoline compounds, process for their preparation and their use ������������ʽ���� 2004-01-14 — — CN disclosed
CN-1384105-A Asymmetric copper compound and cyclopropanation reaction with it SUMITOMO CHEMICAL CO (JP) 2002-12-11 — — CN disclosed
CN-1210858-A Optically active bisoxazoline compounds, process for their preparation and their use SUMITOMO CHEMICAL CO (JP) 1999-03-17 — — CN disclosed
US-5830948-A Polymerizable macromonomers and polymers prepared therefrom CORNELL RESEARCH FOUNDATION, INC. (US) 1998-11-03 — — US disclosed
US-5635571-A Polymerizable macromonomers and polymers prepared therefrom CORNELL RESEARCH FOUNDATION, INC. (US) 1997-06-03 — — US disclosed
EP-0470104-A1 A PROCESS FOR MAKING 2-OXAZOLINES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-02-12 — — EP disclosed
WO-1990013546-A1 A PROCESS FOR MAKING 2-OXAZOLINES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-15 — — WO disclosed
EP-0394849-A1 Process for the preparation of 2-oxazolines Henkel Kommanditgesellschaft auf Aktien (DE) 1990-10-31 — — EP disclosed
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