SCHEMBL28625935

SCHEMBL28625935

COc1ccc(C2SCC(=O)N2Cc2ccc(C(=O)O)cc2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.67
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
KCNA5 P22460 2/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL28627426 0.90 MEN1 (0.67) HTR7KMT2AMEN1LMNAGAA
SCHEMBL28634730 0.88 HTR7 (0.66) HTR7KMT2AMEN1LMNAGAA
SCHEMBL28626118 0.88 HTR7 (0.66) HTR7KMT2AMEN1LMNA
SCHEMBL28627926 0.85 LMNA (0.50) HTR7KMT2AMEN1PTGS1PTGS2
SCHEMBL28923057 0.82 HTR7 (0.52) HTR7KMT2AMEN1LMNAGAA
SCHEMBL28629819 0.81 HTR7 (0.67) HTR7KMT2AMEN1LMNAMAPT
SCHEMBL19306376 0.80 HTR7 (1.00) HTR7
SCHEMBL28923929 0.80 TDP1 (0.61) HTR7KMT2AMEN1LMNAMAPT
SCHEMBL28626494 0.78 HTR7 (0.63) HTR7KMT2AMEN1
SCHEMBL28645365 0.77 ALDH1A1 (0.55) HTR7KMT2AMEN1LMNAGAA

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