SCHEMBL29128533

SCHEMBL29128533

CC(SCc1c[nH]c(=O)[nH]1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ DAO P14920 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ATAD2 Q6PL18 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL29128548 0.73 L3MBTL1 (0.34) KMT2AMEN1ALDH1A1L3MBTL1USP2
SCHEMBL29128508 0.72 ALDH1A1 (0.32) DAOALDH1A1TSHRSLC6A4MAPT
SCHEMBL29128207 0.71 RAB9A (0.45) KMT2AMEN1DAOALDH1A1L3MBTL1
SCHEMBL29128483 0.71 DPYD (0.33) L3MBTL1USP2PABPC1TDP1DPYD
SCHEMBL29128529 0.70 DAO (0.50) KMT2AMEN1DAOALDH1A1L3MBTL1
SCHEMBL29128344 0.70 — —
SCHEMBL17251292 0.69 L3MBTL1 (0.42) KMT2AL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL29128180 0.68 — —
SCHEMBL13757285 0.66 DAO (0.49) KMT2AMEN1DAOALDH1A1CYP2C9
SCHEMBL9865463 0.65 SLC6A4 (0.67) KMT2AL3MBTL1CYP1A2CYP3A4CYP2D6

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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