SCHEMBL28638514

SCHEMBL28638514

CCc1cc(N2C(=O)CSC2c2ccc(F)cc2)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.67
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.56
GFER P55789 1/20 0.56
PTGS2 P35354 1/20 0.55
ACHE P22303 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL19305909 0.80 HTR7 (1.00) HTR7
SCHEMBL28636511 0.80 HTR7 (0.61) HTR7KMT2AMEN1
SCHEMBL19306204 0.79 HTR7 (1.00) HTR7KMT2AMEN1GFERPTGS2
SCHEMBL27208912 0.79 HTR7 (0.66) HTR7
SCHEMBL19306238 0.78 HTR7 (0.64) HTR7KMT2AMEN1GFERPTGS2
SCHEMBL19305961 0.77 HTR7 (0.68) HTR7KMT2AMEN1GFER
SCHEMBL27209019 0.77 HTR7 (0.73) HTR7
SCHEMBL19306260 0.76 HTR7 (1.00) HTR7
SCHEMBL28630634 0.75 HTR7 (0.55) HTR7KMT2AGFER
SCHEMBL28626115 0.75 HTR7 (0.60) HTR7

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-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed