SCHEMBL29128299

SCHEMBL29128299

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 2/20 0.36
▸ FFAR1 O14842 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL29128266 0.82 KLK1 (0.33) FFAR1KLK1F2
SCHEMBL29128610 0.70 HTR1A (0.42) —
SCHEMBL29128459 0.70 NPC1 (0.44) PKM
SCHEMBL29128297 0.70 SOD1 (0.38) —
SCHEMBL29128475 0.69 SOD1 (0.40) DPYD
SCHEMBL29128393 0.68 DAO (0.50) DPYD
SCHEMBL29128407 0.68 MEN1 (0.49) —
SCHEMBL29128346 0.68 DAO (0.43) DPYDFFAR1
SCHEMBL28843836 0.66 FFAR1 (0.59) FFAR1KLK1F2SLC2A1
SCHEMBL5833932 0.66 TDP1 (0.50) FFAR1PKM

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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