SCHEMBL8177658

SCHEMBL8177658

O=C1NC(=S)S/C1=C/c1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 1.00
MMP13 P45452 3/20 1.00
AKR1B1 P15121 2/20 0.78
HPGD P15428 1/20 0.78
NAT1 P18440 4/20 0.75
CA2 P00918 1/20 0.75
EPHX1 P07099 1/20 0.75
XDH P47989 1/20 0.71
CSNK2A2 P19784 1/20 0.70
CLK1 P49759 1/20 0.70
CSNK2B P67870 1/20 0.70
CSNK2A1 P68400 1/20 0.70
DYRK1A Q13627 1/20 0.70
DYRK1B Q9Y463 1/20 0.70
ADAMTS5 Q9UNA0 5/20 0.67
MEN1 O00255 1/20 0.64
PIM1 P11309 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64

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
SCHEMBL8177661 1.00 MMP3 (1.00) MMP3MMP13AKR1B1HPGDNAT1
SCHEMBL18103088 1.00 MMP3 (1.00) MMP3MMP13AKR1B1HPGDNAT1
SCHEMBL1300557 0.88 HPGD (1.00) MMP3MMP13AKR1B1HPGDXDH
SCHEMBL1249023 0.88 HPGD (1.00) MMP3MMP13AKR1B1HPGDXDH
SCHEMBL1249025 0.88 HPGD (1.00) MMP3MMP13AKR1B1HPGDXDH
SCHEMBL8308267 0.88 MMP13 (1.00) MMP3MMP13AKR1B1NAT1CA2
SCHEMBL1248886 0.88 MMP13 (1.00) MMP3MMP13AKR1B1NAT1CA2
SCHEMBL1248883 0.88 MMP13 (1.00) MMP3MMP13AKR1B1NAT1CA2
SCHEMBL18095832 0.87 NAT1 (0.83) MMP3MMP13AKR1B1HPGDNAT1
SCHEMBL18103024 0.87 NAT1 (0.83) MMP3MMP13AKR1B1HPGDNAT1

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 9 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 claimed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US claimed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP claimed
WO-2000018748-A1 RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed
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
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed