SCHEMBL29128400

SCHEMBL29128400

CC(Oc1cccc(F)c1)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ DAO P14920 3/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL29128369 0.86 PPARG (0.36) PPARGPPARAHPGDDAOMEN1
SCHEMBL29128499 0.85 LMNA (0.47) DAOMAPK1LMNA
SCHEMBL29128508 0.81 ALDH1A1 (0.32) DAOSLC6A4LMNAALDH1A1MAPT
SCHEMBL29128472 0.81 TACR1 (0.33) DAO
SCHEMBL29128470 0.80 PPARG (0.38) PPARGPPARAHPGDDAOMEN1
SCHEMBL29128317 0.80 POLB (0.33) HPGDDAOMEN1KMT2AMAPT
SCHEMBL29128483 0.78 DPYD (0.33) —
SCHEMBL29128180 0.78 — —
SCHEMBL29128344 0.77 — —
SCHEMBL29128397 0.75 DAO (0.44) DAOMEN1KMT2AKDM4EMAPK1

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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