SCHEMBL4846705

SCHEMBL4846705

COC(=O)c1sc(C)cc1N.COC(=O)c1sc(C)cc1N=CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 6/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
CASP3 P42574 2/20 0.40
RAB9A P51151 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
IKBKB O14920 1/20 0.40
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4846697 1.00 ALDH1A1 (0.44) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4167131 0.92 ALDH1A1 (0.49) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4167134 0.92 ALDH1A1 (0.49) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4777485 0.83 ALDH1A1 (0.40) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4777491 0.83 ALDH1A1 (0.40) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4774305 0.81 ALDH1A1 (0.38) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL4774303 0.81 ALDH1A1 (0.38) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL166726 0.81 MAPT (0.54) ALDH1A1TSHRKDM4EMAPTNPC1
SCHEMBL1531396 0.80 ALDH1A1 (0.45) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL1531393 0.80 ALDH1A1 (0.45) 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