SCHEMBL29128304

SCHEMBL29128304

S=c1[nH]cc(CSCC(I)COc2ccccc2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SCN4A P35499 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ PTGS1 P23219 1/20 0.30

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
SCHEMBL29128320 0.85 KDM4E (0.32) KDM4EGAAGFERLMNASCN4A
SCHEMBL29128253 0.85 DPYD (0.34) LMNASCN4AKMT2AHSD17B10ALDH1A1
SCHEMBL29128284 0.82 MAOA (0.33) KDM4EGAAGFERLMNAALDH1A1
SCHEMBL29128377 0.80 KDM4E (0.32) KDM4EGAAGFER
SCHEMBL29128303 0.78 ALDH1A1 (0.50) KDM4EGAAGFERLMNAKMT2A
SCHEMBL29128359 0.76 ALDH1A1 (0.43) KDM4EGAAGFERLMNAALDH1A1
SCHEMBL29128465 0.75 — —
SCHEMBL29128361 0.74 MAPT (0.30) —
SCHEMBL29128498 0.72 GAA (0.43) KDM4EGAAGFERLMNAKMT2A
SCHEMBL29128584 0.70 USP2 (0.36) LMNASCN4AKMT2AHSD17B10ALDH1A1

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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