SCHEMBL27412991

SCHEMBL27412991

NCc1ccc(C=C2SC(=S)NC2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 0.74
MAX P61244 3/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
NAT1 P18440 5/20 0.66
CISD1 Q9NZ45 3/20 0.66
CA2 P00918 1/20 0.65
EPHX1 P07099 1/20 0.65
MAOA P21397 1/20 0.61
CRHBP P24387 2/20 0.61
CRHR2 Q13324 2/20 0.61
CSNK2A2 P19784 1/20 0.61
CLK1 P49759 1/20 0.61
CSNK2B P67870 1/20 0.61
CSNK2A1 P68400 1/20 0.61
DYRK1A Q13627 1/20 0.61
DYRK1B Q9Y463 1/20 0.61
IL1RN P18510 1/20 0.61
ERAP1 Q9NZ08 1/20 0.61

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
SCHEMBL346694 0.85 MYC (1.00) MYCMAXNPC1RAB9ANAT1
SCHEMBL10042186 0.85 MYC (1.00) MYCMAXNPC1RAB9ANAT1
SCHEMBL346693 0.85 MYC (1.00) MYCMAXNPC1RAB9ANAT1
SCHEMBL8176997 0.82 NAT1 (0.75) MYCMAXNPC1RAB9ANAT1
SCHEMBL8176998 0.82 NAT1 (0.75) MYCMAXNPC1RAB9ANAT1
SCHEMBL8179140 0.81 MYC (0.72) MYCMAXNPC1RAB9ANAT1
SCHEMBL8179142 0.81 MYC (0.72) MYCMAXNPC1RAB9ANAT1
SCHEMBL1125091 0.81 NAT1 (0.73) MYCMAXNPC1RAB9ANAT1
SCHEMBL1125089 0.81 NAT1 (0.73) MYCMAXNPC1RAB9ANAT1
SCHEMBL12961168 0.81 NAT1 (0.73) MYCMAXNPC1RAB9ANAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1091006-A Chemical compound as blood sugar lowering and treatment degenerative brain disorder LILLY CO ELI (US) 1994-08-24 CN disclosed