SCHEMBL29128588

SCHEMBL29128588

CCC(Oc1ccccc1Cl)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.33
▸ DAO P14920 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HTR2C P28335 2/20 0.30
▸ MMP14 P50281 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
SCHEMBL29128255 0.87 POLB (0.34) TDP1USP2PABPC1L3MBTL1POLB
SCHEMBL29128323 0.86 ALDH1A1 (0.31) ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL29128435 0.84 POLB (0.35) MAPTTDP1USP2PABPC1L3MBTL1
SCHEMBL29128548 0.83 L3MBTL1 (0.34) ALDH1A1TDP1USP2PABPC1L3MBTL1
SCHEMBL29128294 0.82 POLB (0.31) POLB
SCHEMBL29128531 0.78 TACR1 (0.32) MAPTALDH1A1DAOSMN1; SMN2MEN1
SCHEMBL29128519 0.78 ADRA2A (0.34) DAOADRA2AADRA2BADRA2C
SCHEMBL29128360 0.78 LMNA (0.32) DAO
SCHEMBL29128522 0.77 LMNA (0.36) MAPTALDH1A1TDP1L3MBTL1HPGD
SCHEMBL29128516 0.76 MAPT (0.35) MAPTALDH1A1DAOHTT

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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