SCHEMBL28923929

SCHEMBL28923929

Cc1cc(C(=O)O)ccc1CN1C(=O)CSC1c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTR7 P34969 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
PRKG1 Q13976 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL28634730 0.82 HTR7 (0.66) ALDH1A1NPSR1HTR7CYP2C19LMNA
SCHEMBL28626118 0.82 HTR7 (0.66) HTR7LMNAMEN1KMT2A
SCHEMBL28645365 0.81 ALDH1A1 (0.55) ALDH1A1HTR7CYP1A2CYP2C19GFER
SCHEMBL28923057 0.81 HTR7 (0.52) ALDH1A1HTR7CYP2C19LMNAMEN1
SCHEMBL28625935 0.80 HTR7 (0.67) TDP1MAPTALDH1A1NPSR1HTR7
SCHEMBL28627426 0.80 MEN1 (0.67) ALDH1A1NPSR1HTR7CYP2C19LMNA
SCHEMBL28627926 0.79 LMNA (0.50) ALDH1A1HTR7CYP2C19LMNAMEN1
SCHEMBL28626504 0.75 LMNA (0.43) ALDH1A1NPSR1HTR7CYP2C19LMNA
SCHEMBL11054418 0.75 MAPT (0.69) TDP1MAPTALDH1A1POLBNPSR1
SCHEMBL11055589 0.73 MAPT (0.81) TDP1MAPTALDH1A1POLBNPSR1

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