SCHEMBL31442507

SCHEMBL31442507

Cn1c(=S)n(C)c(=O)n(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
MAPT P10636 4/20 0.47
POLB P06746 4/20 0.47
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
ELANE P08246 1/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 3/20 0.39
APOBEC3G Q9HC16 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MDM2 Q00987 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL11243422 0.79 GSK3A (0.50) GSK3AGSK3BMAPTPOLBKDM4E
SCHEMBL9623389 0.79 POLB (0.56) GSK3AGSK3BMAPTPOLBSMN1; SMN2
SCHEMBL24152419 0.73 TDP1 (0.60) MAPTPOLBKDM4EHPGDELANE
SCHEMBL24152291 0.73 AR (0.33) MAPTALDH1A1TDP1KMT2AGFER
SCHEMBL11613139 0.73 GSK3A (0.44) GSK3AGSK3BMAPTPOLBKDM4E
SCHEMBL11235933 0.73 SMN1; SMN2 (0.45) GSK3AGSK3BMAPTPOLBKDM4E
SCHEMBL11243329 0.73 GSK3A (0.44) GSK3AGSK3BMAPTPOLBKDM4E
SCHEMBL11365262 0.72 GSK3A (0.46) GSK3AGSK3BMAPTPOLBKDM4E
SCHEMBL11240497 0.72 GSK3A (0.43) GSK3AGSK3BMAPTPOLBKDM4E
SCHEMBL8830803 0.72 HTT (0.48) GSK3AGSK3BMAPTPOLBKDM4E

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-119613398-A Tetra-substituted phenyl ether (thioether) compound containing alkoxy acetate substituent and application thereof 江西天宇化工有限公司 2025-03-14 CN disclosed