SCHEMBL8845182

SCHEMBL8845182

CC(CNC(N)=S)CC(N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A1 P43005 7/20 0.44
SLC1A3 P43003 6/20 0.44
SLC1A2 P43004 6/20 0.44
GRIK1 P39086 5/20 0.38
GRIK2 Q13002 3/20 0.38
GRIA2 P42262 2/20 0.36
GRIA4 P48058 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIK5 Q16478 2/20 0.36
GRIA1 P42261 1/20 0.36
GFPT1 Q06210 1/20 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
SCHEMBL9800490 0.82 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL1504409 0.82 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL28729833 0.82 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL4586895 0.82 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL10667207 0.82 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL9233627 0.76 SLC7A5 (0.46) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL10620084 0.73 MEN1 (0.46) SLC7A5SLC1A1SLC1A3SLC1A2
SCHEMBL5322808 0.71 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL6663362 0.71 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL6919538 0.70 DPP4 (0.38)

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-5663364-A Heme binding compounds and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1997-09-02 US disclosed
EP-0707577-A4 HEME BINDING COMPOUNDS AND USE THEREOF WISCONSIN MED COLLEGE INC (US) 1996-11-06 EP disclosed
EP-0707577-A1 HEME BINDING COMPOUNDS AND USE THEREOF MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1996-04-24 EP disclosed
US-5464858-A Heme binding compounds and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-11-07 US disclosed
US-5424447-A Heme binding compounds and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-06-13 US disclosed
WO-1995001972-A1 HEME BINDING COMPOUNDS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-01-19 WO disclosed