SCHEMBL29128424

SCHEMBL29128424

CCC(Oc1ccc(C(C)(C)C)cc1)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DAO P14920 2/20 0.33
▸ MMP14 P50281 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL29128228 0.86 — —
SCHEMBL29128531 0.85 TACR1 (0.32) SMN1; SMN2DAOKDM4E
SCHEMBL29128548 0.85 L3MBTL1 (0.34) —
SCHEMBL29128493 0.77 SOD1 (0.36) KDM4E
SCHEMBL29128519 0.76 ADRA2A (0.34) DAO
SCHEMBL29128294 0.75 POLB (0.31) —
SCHEMBL29128255 0.75 POLB (0.34) —
SCHEMBL29128588 0.74 MAPT (0.37) SMN1; SMN2DAOMMP14
SCHEMBL29128360 0.73 LMNA (0.32) DAO
SCHEMBL29128419 0.72 SMN1; SMN2 (0.40) SMN1; SMN2KDM4E

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-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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