SCHEMBL29128302

SCHEMBL29128302

CNc1ccccc1OCCSCc1c[nH]c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 3/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ POLB P06746 3/20 0.31
▸ TDP1 Q9NUW8 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ THRB P10828 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
SCHEMBL29128185 0.87 ALDH1A1 (0.39) APPLMNAHTTKMT2ASMN1; SMN2
SCHEMBL29128173 0.81 HTT (0.40) LMNAHTTKMT2AALDH1A1TDP1
SCHEMBL29128368 0.79 ALDH1A1 (0.49) LMNAHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29128376 0.79 KMT2A (0.31) LMNAHTTKMT2AALDH1A1
SCHEMBL29128402 0.78 RAB9A (0.34) LMNAHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29128420 0.76 MEN1 (0.40) HTTKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL29128384 0.74 HTR1B (0.36) LMNAKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL29128367 0.73 KDM4E (0.44) LMNAKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL29128179 0.73 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLBTDP1MAPT
SCHEMBL30799894 0.71 RAB9A (0.46) LMNAHTTKMT2AALDH1A1POLB

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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