SCHEMBL28958218

SCHEMBL28958218

CC(C)(C)c1ccc(CN2CCSC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CHRNA1 P02708 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTT P42858 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
LMNA P02545 2/20 0.42
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.40
METAP2 P50579 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1I2 O75469 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 1/20 0.39
HRH1 P35367 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL9741850 0.84 ALDH1A1 (0.49) POLBALDH1A1CHRNA1CHRNA7HTT
SCHEMBL9511632 0.82 HTT (0.59) POLBALDH1A1KMT2AMEN1HTT
SCHEMBL9514131 0.82 ALDH1A1 (0.60) ALDH1A1CHRNA1CHRNA7HTTLMNA
SCHEMBL28958322 0.79 ALDH1A1 (0.50) POLBALDH1A1KMT2ACHRNA1CHRNA7
SCHEMBL4182979 0.78 MAPK1 (0.57) POLBALDH1A1KMT2AMEN1LMNA
SCHEMBL9977538 0.78 POLB (0.51) POLBALDH1A1KMT2AMEN1HDAC6
SCHEMBL9512641 0.78 POLB (0.62) POLBALDH1A1KMT2AMEN1LMNA
SCHEMBL9743824 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1CHRNA1CHRNA7
SCHEMBL14094206 0.75 ALDH1A1 (0.41) POLBALDH1A1KMT2AMEN1CHRNA1
SCHEMBL4595757 0.74 POLB (0.63) POLBALDH1A1KMT2AMEN1HDAC6

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-110294719-B Synthesis method of thiazolidone compound 五邑大学 2023-02-28 CN disclosed