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SCHEMBL4725481

SCHEMBL4725481

COC(=O)c1cccc(NC(=S)NC2CCN(c3ccnc4ccc(Cl)cc34)CC2)c1.CSc1cccc(NC(=S)NC2CCN(c3ccnc4ccc(Cl)cc34)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ BPTF Q12830 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL4726676 0.94 KDM4E (0.45) MAPTMEN1KMT2AALDH1A1
SCHEMBL4582297 0.94 MAPT (0.47) PDGFRBMAPTMEN1KMT2AALDH1A1
SCHEMBL4584601 0.92 MEN1 (0.44) PDGFRBMEN1KMT2A
SCHEMBL4581838 0.88 KDM4E (0.49) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4582814 0.85 PKM (0.47) ALDH1A1
SCHEMBL4582512 0.85 MEN1 (0.53) PDGFRBMEN1KMT2A
SCHEMBL4729369 0.85 ROCK2 (0.45) PDGFRBMAPTMEN1KMT2AALDH1A1
SCHEMBL4585525 0.82 — —
SCHEMBL4583177 0.82 MEN1 (0.56) PDGFRBMEN1KMT2ALMNA
SCHEMBL4583852 0.82 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 claimed