SCHEMBL29128522

SCHEMBL29128522

CCC(Oc1ccc(Br)cc1Br)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HPGD P15428 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPK1 P28482 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 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
SCHEMBL29128364 0.86 LMNA (0.34) LMNASMN1; SMN2ATMMAPK1TSHR
SCHEMBL29128493 0.82 SOD1 (0.36) LMNAHPGDALDH1A1
SCHEMBL29128360 0.81 LMNA (0.32) LMNA
SCHEMBL29125950 0.80 LMNA (0.37) LMNASMN1; SMN2ATMHPGDNPC1
SCHEMBL29128255 0.78 POLB (0.34) TDP1L3MBTL1
SCHEMBL29128588 0.77 MAPT (0.37) SMN1; SMN2HPGDRAB9AALDH1A1TDP1
SCHEMBL29128294 0.76 POLB (0.31) —
SCHEMBL29128548 0.76 L3MBTL1 (0.34) TSHRALDH1A1TDP1L3MBTL1
SCHEMBL29128435 0.75 POLB (0.35) TSHRTDP1L3MBTL1MAPT
SCHEMBL29128519 0.74 ADRA2A (0.34) —

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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