SCHEMBL9260468

SCHEMBL9260468

CC(C)c1nc(C(O)C#N)cs1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
SLC6A3 Q01959 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9257804 0.82 PIK3CD (0.35) TLR7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7176893 0.79 TLR7 (0.37) TLR7L3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL179319 0.76 CCR4 (0.39) TLR7L3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL29670237 0.73 SLC6A3 (0.34) TLR7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22824973 0.72 SLC6A3 (0.35) TLR7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8881509 0.71 APEX1 (0.34) TLR7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9255061 0.71 SLC6A3 (0.35) SLC6A3
SCHEMBL19387943 0.71 SLC6A3 (0.34) TLR7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20780330 0.71 CCR4 (0.36) TLR7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20738457 0.71 SLC6A3 (0.34) TLR7PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457205-A Substituted thiazoles useful for treatment of diabetes DR. KARL THOMAE GMBH (DE) 1995-10-10 US disclosed
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US disclosed