SCHEMBL29128429

SCHEMBL29128429

CNc1ccccc1OCCCSCc1c[nH]c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ APP P05067 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HTT P42858 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ADAM17 P78536 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
▸ KDM4E B2RXH2 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL29128281 0.86 APP (0.35) APPMAPTKMT2AHTTLMNA
SCHEMBL29128250 0.83 CTSS (0.33) POLBMAPTKMT2AHTTALDH1A1
SCHEMBL29128580 0.82 ALDH1A1 (0.46) POLBMAPTKMT2AMEN1HTT
SCHEMBL29128546 0.79 KCNA3 (0.41) POLBMAPTALDH1A1USP2PABPC1
SCHEMBL29128287 0.79 DPYD (0.30) POLB
SCHEMBL29128511 0.75 MAPK1 (0.32) ALDH1A1LMNA
SCHEMBL29128527 0.74 HCAR2 (0.36) KDM4EDRD2DRD4DRD3
SCHEMBL29128517 0.73 HTR1B (0.35) MAPTALDH1A1LMNATDP1L3MBTL1
SCHEMBL29128428 0.72 — —
SCHEMBL29128529 0.70 DAO (0.50) MAPTKMT2AMEN1HTTALDH1A1

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
Send feedback