SCHEMBL4769679

SCHEMBL4769679

CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.COC(=O)c1sc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAF1 P04049 6/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 4/20 0.33
FABP3 P05413 1/20 0.33
FABP1 P07148 1/20 0.33
FABP2 P12104 1/20 0.33
FABP4 P15090 1/20 0.33
BLM P54132 1/20 0.33
FABP5 Q01469 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL4174776 0.91 KDM4E (0.42) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4774819 0.86 KDM4E (0.38) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4770425 0.83 RAF1 (0.31) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4769671 0.76 RAF1 (0.38) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4176381 0.74 KDM4E (0.44) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4174770 0.69 RAF1 (0.41) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4166226 0.68 ALDH1A1 (0.34) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4166237 0.68 ALDH1A1 (0.34) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL19838123 0.67 RAF1 (0.42) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL19838302 0.66 RAF1 (0.38) RAF1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed