SCHEMBL29128266

SCHEMBL29128266

S=c1[nH]cc(COc2ccc(I)cc2I)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLK1 P06870 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ SLC22A4 Q9H015 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ XDH P47989 2/20 0.31
▸ FFAR1 O14842 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
SCHEMBL29128299 0.82 DPYD (0.36) KLK1F2FFAR1
SCHEMBL29128496 0.70 NPC1 (0.44) KMT2A
SCHEMBL29128486 0.70 HTR1A (0.42) MEN1KMT2A
SCHEMBL29128498 0.68 GAA (0.43) MEN1KMT2ARXFP1
SCHEMBL29128174 0.68 SLC6A2 (0.40) SLC22A4FFAR1
SCHEMBL29128215 0.68 ALDH1A1 (0.49) SLC22A4MEN1KMT2A
SCHEMBL28843836 0.66 FFAR1 (0.59) KLK1F2FFAR1
SCHEMBL29128450 0.66 APP (0.41) KMT2AFFAR1
SCHEMBL29128567 0.66 MAOB (0.39) SLC22A4FFAR1
SCHEMBL29128249 0.66 GAA (0.42) MEN1KMT2A

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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