SCHEMBL7368012

SCHEMBL7368012

COC(OC)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ALOX5 P09917 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR1A P08908 1/20 0.33
CYP2A6 P11509 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CES2 O00748 1/20 0.30

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
SCHEMBL9510248 0.84 IDO1 (0.35) IDO1TDO2ALOX5CHRNB2CHRNB4
SCHEMBL15854033 0.79
SCHEMBL15853738 0.79
SCHEMBL13921683 0.77
SCHEMBL10685954 0.77 LMNA (0.33) IDO1TDO2ALOX5CHRNB2CHRNB4
SCHEMBL10685947 0.77 CHRNB2 (0.33) IDO1TDO2CHRNB2CHRNB4CHRNA3
SCHEMBL10681486 0.74 ALOX5 (0.33) IDO1TDO2ALOX5CHRNB2CHRNB4
SCHEMBL12199262 0.73 IDO1 (0.36) IDO1TDO2ALOX5CHRNB2CHRNB4
SCHEMBL30295390 0.72 ALOX5 (0.47) IDO1TDO2ALOX5CHRNB2CHRNB4
SCHEMBL24328856 0.71 ALOX5 (0.44) IDO1TDO2ALOX5CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007035-A4 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-11-22 EP disclosed
EP-1019399-A1 ARYL THIOPHENE DERIVATIVES AS PDE IV INHIBITORS Merck Frosst Canada & Co. (CA) 2000-07-19 EP disclosed
EP-1007035-A1 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-06-14 EP disclosed
CN-1253500-A Polythiophene anti-tumor agents PURDUE RESEARCH FOUNDATION (US) 2000-05-17 CN disclosed
US-6034089-A ASTHMA THERAPY MERCK & CO., INC. (US) 2000-03-07 US disclosed
WO-1999018099-A1 ARYL THIOPHENE DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-04-15 WO disclosed
WO-1998023269-A1 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 1998-06-04 WO disclosed
US-5741811-A ADMINISTERING TO CANCER PATIENTS PURDUE RESEARCH FOUNDATION (US) 1998-04-21 US disclosed
US-5578636-A Polythiophene anti-tumor agents PURDUE RESEARCH FOUNDATION (US) 1996-11-26 US disclosed
US-5260319-A Analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-09 US disclosed
EP-0435223-A2 Thienobenzoxepin- and naphthothiophene-derivatives, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-07-03 EP disclosed
US-5006536-A Thienobenzoxepins and analgesic compositions thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-04-09 US disclosed
EP-0386778-A1 Biphenyl derivatives TANABE SEIYAKU CO., LTD. (JP) 1990-09-12 EP disclosed
US-4952602-A TREATMENT OF ARTERIOSCLEROSIS TANABE SEIYAKU COMPANY, LTD. (JP) 1990-08-28 US disclosed
EP-0316939-A2 Biphenyl derivatives, preparation method, pharmaceutical compositions comprising them and use Tanabe Seiyaku Co., Ltd. (JP) 1989-05-24 EP disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4198506-A INTERMEDIATES FOR THE CORRESPONDING 3-SUBSTITUTED 3-CEPHEM-4-CARBOXYLIC ACIDS BRISTOL-MYERS COMPANY (US) 1980-04-15 US disclosed
US-4151352-A CEPHALOSPORINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1979-04-24 US disclosed
US-4100346-A Certain 7(o-amino-methyl- or methylaminomethylphenyl- or cyclohexadienyl- or thienylacetamide)-3[1-carboxymethyl-(or ethyl- or propyl-)-tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acids BRISTOL-MYERS COMPANY (US) 1978-07-11 US disclosed
US-4082912-A ANTIBACTERIAL BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed