SCHEMBL8310652

SCHEMBL8310652

O=C1NC(=S)S/C1=C\c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 5/20 1.00
PIM1 P11309 1/20 0.75
PIM2 Q9P1W9 1/20 0.75
MYC P01106 4/20 0.71
CISD1 Q9NZ45 3/20 0.71
MAX P61244 3/20 0.71
CA2 P00918 1/20 0.71
EPHX1 P07099 1/20 0.71
MAOA P21397 1/20 0.67
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
CRHBP P24387 1/20 0.66
CRHR2 Q13324 1/20 0.66
CSNK2A2 P19784 1/20 0.66
CLK1 P49759 1/20 0.66
CSNK2B P67870 1/20 0.66
CSNK2A1 P68400 1/20 0.66
DYRK1A Q13627 1/20 0.66
DYRK1B Q9Y463 1/20 0.66
IL1RN P18510 1/20 0.66

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
SCHEMBL9427043 1.00 NAT1 (1.00) NAT1PIM1PIM2MYCCISD1
SCHEMBL8310654 1.00 NAT1 (1.00) NAT1PIM1PIM2MYCCISD1
SCHEMBL4054065 0.88 NAT1 (0.77) NAT1PIM1PIM2MYCCISD1
SCHEMBL4052864 0.88 NAT1 (0.77) NAT1PIM1PIM2MYCCISD1
SCHEMBL4054069 0.88 NAT1 (0.77) NAT1PIM1PIM2MYCCISD1
SCHEMBL2539691 0.86 PIM1 (1.00) NAT1PIM1PIM2CISD1MAOA
SCHEMBL2539685 0.86 PIM1 (1.00) NAT1PIM1PIM2CISD1MAOA
SCHEMBL2539688 0.86 PIM1 (1.00) NAT1PIM1PIM2CISD1MAOA
SCHEMBL1125091 0.85 NAT1 (0.73) NAT1MYCCISD1MAXCA2
SCHEMBL12961168 0.85 NAT1 (0.73) NAT1MYCCISD1MAXCA2

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
US-7872027-B2 Low molecular weight Myc-max inhibitors UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-01-18 US 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