SCHEMBL30228212

SCHEMBL30228212

[2H]C([2H])([2H])NC(=O)CN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 5/20 0.46
▸ KCNA3 P22001 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ HSD17B3 P37058 2/20 0.38
▸ LMNA P02545 2/20 0.37

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
SCHEMBL30228557 0.95 KCNA3 (0.43) IGLV6-57KCNA3TDP1ALDH1A1HPGD
SCHEMBL30228289 0.93 IGLV6-57 (0.48) IGLV6-57KCNA3TDP1ALDH1A1HPGD
SCHEMBL30228424 0.90 IGLV6-57 (0.39) IGLV6-57KCNA3TDP1ALDH1A1HPGD
SCHEMBL30228144 0.90 IGLV6-57 (0.43) IGLV6-57KCNA3TDP1ALDH1A1HPGD
SCHEMBL30228309 0.90 KCNA3 (0.43) IGLV6-57KCNA3TDP1ALDH1A1HPGD
SCHEMBL30227938 0.85 IGLV6-57 (0.51) IGLV6-57KCNA3ALDH1A1HPGDL3MBTL1
SCHEMBL30228113 0.85 IGLV6-57 (0.45) IGLV6-57KCNA3TDP1ALDH1A1HPGD
SCHEMBL30228423 0.85 IGLV6-57 (0.45) IGLV6-57KCNA3TDP1ALDH1A1HPGD
SCHEMBL30228149 0.85 IGLV6-57 (0.48) IGLV6-57KCNA3TDP1ALDH1A1HPGD
SCHEMBL30228131 0.84 IGLV6-57 (0.50) IGLV6-57KCNA3TDP1ALDH1A1HPGD

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
WO-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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