SCHEMBL29128250

SCHEMBL29128250

O=c1[nH]cc(CSCCCOc2ccccc2I)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ DPYD Q12882 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 2/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL29128287 0.90 DPYD (0.30) POLBDPYD
SCHEMBL29128580 0.86 ALDH1A1 (0.46) POLBHTTALDH1A1LMNATDP1
SCHEMBL29128300 0.85 LMNA (0.32) HTTLMNAMAPTDRD2DRD4
SCHEMBL29128429 0.83 POLB (0.35) POLBHTTALDH1A1LMNAUSP2
SCHEMBL29128546 0.83 KCNA3 (0.41) POLBALDH1A1DPYDUSP2PABPC1
SCHEMBL29128476 0.79 DPYD (0.33) HTTALDH1A1DPYDUSP2PABPC1
SCHEMBL29128527 0.78 HCAR2 (0.36) DRD2DRD4DRD3
SCHEMBL29128517 0.77 HTR1B (0.35) ALDH1A1LMNATDP1L3MBTL1MAPT
SCHEMBL29128511 0.76 MAPK1 (0.32) ALDH1A1LMNA
SCHEMBL29128529 0.73 DAO (0.50) HTTALDH1A1USP2PABPC1TDP1

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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