SCHEMBL4774820

SCHEMBL4774820

COC(=O)c1sc(C(=O)C2CCCC2)cc1NC(=O)C(F)(F)F.COC(=O)c1sccc1NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.48
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.45
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.43

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
SCHEMBL4166268 0.92 KDM4E (0.41) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4256835 0.82 KDM4E (0.39) ALDH1A1HTTMAPTKDM4ETP53
SCHEMBL4775187 0.81 KDM4E (0.48) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL612157 0.80 NPC1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4773050 0.77 HDAC1 (0.37) CASP3SENP7SENP6HTTMAPT
SCHEMBL4777780 0.77 NPC1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14434356 0.74 KDM4E (0.43) ALDH1A1MAPTKDM4ETP53HPGD
SCHEMBL4261811 0.71 RAF1 (0.39) ALDH1A1MAPTKDM4ETP53HPGD
SCHEMBL4166271 0.70 KMT2A (0.37) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4176316 0.69 KDM4E (0.44) MEN1KMT2AALDH1A1SMN1; SMN2CASP3

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