SCHEMBL4777485

SCHEMBL4777485

COC(=O)c1sc(C=O)cc1/N=C/N(C)C.COC(=O)c1sc(C=O)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 7/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
IKBKB O14920 1/20 0.38
KMT2A Q03164 2/20 0.32
MAPK1 P28482 3/20 0.32
HPGD P15428 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK14 Q16539 1/20 0.31
HSD17B10 Q99714 4/20 0.31
ALOX15 P16050 3/20 0.31
GAA P10253 2/20 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
SCHEMBL4777491 1.00 ALDH1A1 (0.40) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4169599 0.93 ALDH1A1 (0.44) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4169597 0.93 ALDH1A1 (0.44) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4175470 0.83 KDM4E (0.50) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4846697 0.83 ALDH1A1 (0.44) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4846705 0.83 ALDH1A1 (0.44) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4774305 0.79 ALDH1A1 (0.38) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4774303 0.79 ALDH1A1 (0.38) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4167131 0.77 ALDH1A1 (0.49) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4167134 0.77 ALDH1A1 (0.49) ALDH1A1TSHRHTTKDM4EMAPT

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
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
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