SCHEMBL29128215

SCHEMBL29128215

Cc1cccc(OCc2c[nH]c(=S)[nH]2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTR1B P28222 1/20 0.42
▸ MAPT P10636 6/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL29128496 0.88 NPC1 (0.44) ALDH1A1KMT2AMAPTRAB9ALMNA
SCHEMBL29128407 0.82 MEN1 (0.49) ALDH1A1MEN1KMT2AHTR1BMAPT
SCHEMBL29128174 0.77 SLC6A2 (0.40) L3MBTL1TDP1KDM4EGAASLC22A4
SCHEMBL29128486 0.76 HTR1A (0.42) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL3972605 0.73 DAO (0.38) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL30799958 0.72 GAA (0.42) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL29128249 0.72 GAA (0.42) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL29128498 0.71 GAA (0.43) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL29128528 0.71 SLC22A4 (0.37) ALDH1A1MAPTL3MBTL1LMNAKDM4E
SCHEMBL29128459 0.70 NPC1 (0.44) ALDH1A1RAB9ALMNANPC1KDM4E

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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