SCHEMBL28634730

SCHEMBL28634730

Cc1cc(C(=O)O)ccc1CN1C(=O)CSC1c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.66
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL28626118 0.89 HTR7 (0.66) HTR7MEN1KMT2ALMNA
SCHEMBL28625935 0.88 HTR7 (0.67) HTR7CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28627426 0.88 MEN1 (0.67) HTR7CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28627926 0.87 LMNA (0.50) HTR7CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28923057 0.84 HTR7 (0.52) HTR7CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28923929 0.82 TDP1 (0.61) HTR7CYP2C19MEN1KMT2ALMNA
SCHEMBL28626494 0.79 HTR7 (0.63) HTR7MEN1KMT2A
SCHEMBL19306319 0.79 HTR7 (1.00) HTR7
SCHEMBL28645365 0.78 ALDH1A1 (0.55) HTR7CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28629819 0.76 HTR7 (0.67) HTR7MEN1KMT2ALMNA

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