SCHEMBL8716779

SCHEMBL8716779

CN(CCOc1ccc(CN2CC(=O)SC2=O)cc1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 14/20 0.43
ATP4B P51164 14/20 0.43
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL8653167 0.80 PPARD (0.45) ATP4AATP4BKMT2AMAPT
SCHEMBL4443997 0.78 PPARG (0.55) KMT2AMAPTMEN1
SCHEMBL6806950 0.76 ATP4A (0.50) ATP4AATP4BKMT2AMAPTMEN1
SCHEMBL1848107 0.76 PPARG (0.47) ATP4AATP4BKMT2AMAPTMEN1
SCHEMBL1846169 0.75 PPARG (0.68)
SCHEMBL12520389 0.75 PPARG (0.68)
SCHEMBL1848104 0.74 PPARG (0.69)
SCHEMBL1846171 0.73 PPARG (0.55) ATP4AATP4BMAPT
SCHEMBL1746627 0.72 PPARD (0.53) ATP4AATP4BKMT2AMAPTMEN1
SCHEMBL18674619 0.71 RAB9A (0.60) ATP4AATP4BKMT2AMAPTMEN1

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
US-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US claimed
US-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US disclosed