SCHEMBL28630573

SCHEMBL28630573

O=C(O)c1ccccc1CN1C(=O)CSC1c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
HTR7 P34969 4/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 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
SCHEMBL28627669 0.82 MEN1 (0.58) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL19306397 0.81 KMT2A (0.78) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL28626118 0.80 HTR7 (0.66) MEN1KMT2AHTR7LMNA
SCHEMBL19306513 0.80 MEN1 (0.71) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL28629819 0.78 HTR7 (0.67) MEN1KMT2AMAPTHTR7LMNA
SCHEMBL28636511 0.76 HTR7 (0.61) MEN1KMT2AHTR7
SCHEMBL28638514 0.72 HTR7 (0.67) MEN1KMT2AHTR7
SCHEMBL28626494 0.72 HTR7 (0.63) MEN1KMT2AHTR7
SCHEMBL5151681 0.71 MEN1 (0.59) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL19305954 0.71 MEN1 (0.81) MEN1KMT2AMAPTCYP2C9CYP2C19

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