SCHEMBL4727740

SCHEMBL4727740

COc1ccc(NC(=S)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1.Cc1ccc(NC(=S)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1.Cc1ccccc1NC(=S)NC1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
PDGFRB P09619 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL4727134 0.93 GAA (0.57) GAA
SCHEMBL4583297 0.90 GAA (0.61) GAAPDGFRB
SCHEMBL4582154 0.89 ALDH1A1 (0.52) KDM4EMAPTMAPK1
SCHEMBL4582992 0.87
SCHEMBL4730213 0.87
SCHEMBL4583200 0.83 PDGFRB (0.53) GAAPDGFRB
SCHEMBL4582316 0.82 GAA (0.53) GAAKDM4EMAPTMAPK1
SCHEMBL4583992 0.82 ALDH1A1 (0.52) PDGFRB
SCHEMBL4581520 0.82 PDGFRB (0.55) PDGFRB
SCHEMBL4726941 0.81 PDGFRB (0.49) PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed