SCHEMBL8981966

SCHEMBL8981966

NC(=O)N(O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 2/20 0.40
DAO P14920 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.38
HPGD P15428 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
BCAT2 O15382 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 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
SCHEMBL9547515 0.83 ALOX5 (0.44) ALOX5CES2CES1POLBDAO
SCHEMBL9850025 0.79 ALOX5 (0.46) ALOX5CES2CES1POLBDAO
SCHEMBL28723722 0.75 CES2 (0.39) ALOX5CES2CES1POLBDAO
SCHEMBL5891695 0.75 ALOX5 (0.42) ALOX5CES2CES1POLBDAO
SCHEMBL7765615 0.75 POLB (0.39) ALOX5CES2CES1POLBDAO
SCHEMBL7682897 0.74
SCHEMBL9547570 0.73 CES2 (0.44) ALOX5CES2CES1POLBDAO
SCHEMBL16334418 0.72 DAO (0.43) ALOX5CES2CES1POLBDAO
SCHEMBL3836356 0.72 ALOX5 (0.47) ALOX5DAOALDH1A1MEN1NPC1
SCHEMBL4683609 0.72 HPGDS (0.43) ALOX5CES2CES1POLBDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996028156-A1 NOVEL BENZOTHIOPHENE COMPOUNDS AND METHODS ELI LILLY AND COMPANY (US) 1996-09-19 WO disclosed
EP-0732331-A1 Novel benzothiophene compounds and methods for inhibiting lipoxygenase and leukotrienes ELI LILLY AND COMPANY (US) 1996-09-18 EP disclosed
US-5532382-A INHIBITOR OF LIPOXYGENASE AND LEUKOTRIENES; ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
US-5514703-A INTERRUPTION OF LEUKOTRIENE PATHWAY ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
US-5514704-A AND LIPOXYGENASE ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
US-5356921-A Exhibit 5-lipoxygenase and thromboxane synthase inhibiting activities; administering for disorders attributable to the action of leukotrienes and thromboxane A2 GRUENENTHAL GMBH (DE) 1994-10-18 US disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
CN-1066062-A Medicinal compound LILLY CO ELI (US) 1992-11-11 CN disclosed
CN-1066060-A Medicinal compound LILLY CO ELI (US) 1992-11-11 CN disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed