SCHEMBL4751753

SCHEMBL4751753

Oc1cccc(C2=NCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
HSD17B1 P14061 9/20 0.46
HSD17B2 P37059 8/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 2/20 0.45
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESR2 Q92731 1/20 0.39
CA12 O43570 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38

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 0.87 NPC1 (0.41) ADRA2A
SCHEMBL20410845 0.83 NPC1 (0.39)
SCHEMBL6670692 0.81 KCNH2 (0.34)
SCHEMBL7519297 0.81 KCNH2 (0.34) ADRA2AADRA1A
Carbimide SCHEMBL29055881 0.80 NPC1 (0.37)
SCHEMBL10520530 0.80 KCNH2 (0.38) CHRNB4CHRNA3
SCHEMBL27260114 0.80 NISCH (0.46) ADRA2A
SCHEMBL23054974 0.79 KCNH2 (0.37) CHRNB4CHRNA3
SCHEMBL7839776 0.79 HSD17B1 (0.46) CHRNB4CHRNA3HSD17B1HSD17B2CYP3A4
SCHEMBL1338566 0.79 NISCH (0.47) CHRNB4CHRNA3ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101560192-B 2-oxazoline derivant and preparation method thereof UNIV BEIJING CHEMICAL 2015-04-29 CN claimed
CN-101560192-A 2-oxazoline derivant and preparation method thereof UNIV BEIJING CHEMICAL (CN) 2009-10-21 CN claimed
EP-0719291-B1 NOVEL FUNCTIONALIZED ISOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON RESEARCH ENGINEERING CO (US) 1998-05-20 EP claimed
EP-0719291-A4 NOVEL FUNCTIONALIZED ISOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON RESEARCH ENGINEERING CO (US) 1996-08-21 EP claimed
EP-0719291-A1 NOVEL FUNCTIONALIZED ISOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-07-03 EP claimed
WO-1995007945-A1 NOVEL FUNCTIONALIZED ISOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON RESEARCH & ENGINEERING COMPANY (US) 1995-03-23 WO claimed
CN-101560192-B 2-oxazoline derivant and preparation method thereof UNIV BEIJING CHEMICAL 2015-04-29 CN disclosed
CN-101560192-A 2-oxazoline derivant and preparation method thereof UNIV BEIJING CHEMICAL (CN) 2009-10-21 CN disclosed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed
EP-1099727-A2 Flowable polyamides BASF AKTIENGESELLSCHAFT (DE) 2001-05-16 EP disclosed
EP-0719291-B1 NOVEL FUNCTIONALIZED ISOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON RESEARCH ENGINEERING CO (US) 1998-05-20 EP disclosed
US-5616659-A Low flammability thermoset polymers SOUTHWEST RESEARCH INSTITUTE (US) 1997-04-01 US disclosed
EP-0137242-B1 (SUBSTITUTED) PHENYL-ALIPHATIC-ISOXAZOLES USEFUL AS ANTIVIRAL AGENTS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-05-13 EP disclosed
US-5106921-A Copolymers with other resins containing a reactive functional goup, such as polyester GENERAL ELECTRIC COMPANY (US) 1992-04-21 US disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
EP-0380807-A2 Reactive polycarbonates GENERAL ELECTRIC COMPANY (US) 1990-08-08 EP disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0137242-A2 (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof STERLING WINTHROP INC. (US) 1985-04-17 EP disclosed