SCHEMBL29128346

SCHEMBL29128346

O=c1[nH]cc(COc2cccc(F)c2F)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.43
▸ SLC6A2 P23975 3/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ SLC6A3 Q01959 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL29128174 0.82 SLC6A2 (0.40) DAOSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL29128407 0.77 MEN1 (0.49) ALDH1A1LMNAMAPTTSHRHTT
SCHEMBL29128459 0.76 NPC1 (0.44) ALDH1A1LMNATSHRKDM4C
SCHEMBL29128610 0.76 HTR1A (0.42) HTR1AALDH1A1LMNAMAPTHTT
SCHEMBL30800030 0.75 RXRB (0.37) ALDH1A1MAPTHTTMRGPRX4DPYD
SCHEMBL30799967 0.72 MAOB (0.39) DAOALDH1A1LMNAMAPTCYP19A1
SCHEMBL29128254 0.72 MAOB (0.39) DAOALDH1A1LMNAMAPTCYP19A1
SCHEMBL2741619 0.72 ADRA1A (0.57) SLC6A2SLC6A4SLC6A3HTR1ACYP19A1
SCHEMBL29128393 0.71 DAO (0.50) DAOALDH1A1DPYDUSP2PABPC1
SCHEMBL28246269 0.69 HTR1A (0.60) SLC6A2SLC6A4SLC6A3HTR1AALDH1A1

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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