SCHEMBL6911558

SCHEMBL6911558

O=C1CSC(=Nc2ccc(N3CCOCC3)cc2)N1c1ccccn1.O=C1CSC(=S)N1c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
MAPT P10636 11/20 0.40
GAA P10253 8/20 0.40
ALDH1A1 P00352 7/20 0.40
RECQL P46063 3/20 0.40
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL6911554 1.00 GFER (0.42) GFERMAPTGAAALDH1A1RECQL
SCHEMBL5611072 0.94 GFER (0.47) GFERMAPTGAAALDH1A1MAPK1
SCHEMBL14586907 0.94 GFER (0.47) GFERMAPTGAAALDH1A1MAPK1
SCHEMBL5611068 0.94 GFER (0.47) GFERMAPTGAAALDH1A1MAPK1
SCHEMBL181606 0.77 GAA (0.54) MAPTGAAALDH1A1RECQLMAPK1
SCHEMBL11400791 0.65 SMN1; SMN2 (0.46) MAPTGAAALDH1A1RECQLHSD17B10
SCHEMBL5611084 0.65 NPC1 (0.42) GFERMAPTALDH1A1MAPK1KMT2A
SCHEMBL14586877 0.65 NPC1 (0.42) GFERMAPTALDH1A1MAPK1KMT2A
SCHEMBL5611082 0.65 NPC1 (0.42) GFERMAPTALDH1A1MAPK1KMT2A
SCHEMBL16735374 0.64 SMN1; SMN2 (0.51) MAPTGAAALDH1A1RECQLMAPK1

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
WO-2004014852-A2 IMINOTHIAZOLIDINONES AS INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
WO-2004014313-A2 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed