SCHEMBL29128245

SCHEMBL29128245

S=c1[nH]cc(CSCCCOc2ccccc2Cl)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.40
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TP53 P04637 1/20 0.36

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
SCHEMBL29128488 0.85 L3MBTL1 (0.43) L3MBTL1MAPTALDH1A1TDP1KDM4E
SCHEMBL29128514 0.82 ALDH1A1 (0.51) L3MBTL1MAPTALDH1A1KDM4ELMNA
SCHEMBL29128536 0.80 ALDH1A1 (0.52) L3MBTL1MAPTALDH1A1TDP1KDM4E
SCHEMBL29128328 0.79 MAPT (0.32) L3MBTL1MAPTALDH1A1HPGD
SCHEMBL29128332 0.79 ALDH1A1 (0.34) ALDH1A1KDM4ELMNATSHR
SCHEMBL29128413 0.77 HTT (0.41) MAPTALDH1A1HTTTDP1KDM4E
SCHEMBL29128185 0.77 ALDH1A1 (0.39) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL29128316 0.77 ALDH1A1 (0.41) L3MBTL1MAPTALDH1A1HTTTDP1
SCHEMBL29128225 0.76 DRD4 (0.40) L3MBTL1MAPTALDH1A1TDP1KDM4E
SCHEMBL29128438 0.76 DRD2 (0.41) L3MBTL1ALDH1A1HTTLMNADRD2

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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