SCHEMBL8310946

SCHEMBL8310946

O=C1NC(=S)SC1=Cc1cccc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 4/20 1.00
AKR1B1 P15121 1/20 0.74
CISD1 Q9NZ45 4/20 0.70
CA2 P00918 1/20 0.68
EPHX1 P07099 1/20 0.68
MYC P01106 1/20 0.68
MAX P61244 1/20 0.68
MMP13 P45452 2/20 0.67
MMP3 P08254 1/20 0.67
TDP1 Q9NUW8 1/20 0.66
ADAMTS5 Q9UNA0 1/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
GSK3B P49841 1/20 0.63
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62

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
SCHEMBL12892064 1.00 NAT1 (1.00) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL8310945 1.00 NAT1 (1.00) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL18103005 0.92 NAT1 (0.85) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL18103051 0.91 NAT1 (0.83) NAT1AKR1B1MMP13MMP3ADAMTS5
SCHEMBL18103002 0.85 NAT1 (0.74) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL18103006 0.85 NAT1 (0.74) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL12259747 0.85 AKR1B1 (1.00) NAT1AKR1B1CISD1TDP1GSK3B
SCHEMBL18103062 0.85 MMP13 (0.82) NAT1AKR1B1MMP13MMP3ADAMTS5
SCHEMBL18103055 0.85 MMP3 (0.75) NAT1AKR1B1MMP13MMP3ADAMTS5
SCHEMBL15421927 0.84 PIK3CG (0.76) NAT1CISD1CA2EPHX1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915090-A1 Compounds useful as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1999-05-12 EP disclosed
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
US-5661168-A ADMINISTERING RHODANINE DERIVATIVES TO CONTROL DIABETES ELI LILLY AND COMPANY (US) 1997-08-26 US disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
CN-1091006-A Chemical compound as blood sugar lowering and treatment degenerative brain disorder LILLY CO ELI (US) 1994-08-24 CN disclosed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed