SCHEMBL30228100

SCHEMBL30228100

CNC(=O)C(C)=Cc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 3/20 0.46
▸ CA12 O43570 8/20 0.40
▸ CA9 Q16790 8/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HSD17B3 P37058 1/20 0.38
▸ SORD Q00796 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ TP53 P04637 1/20 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
SCHEMBL30228220 0.87 KCNA3 (0.48) KCNA3CA12CA9ALDH1A1LMNA
SCHEMBL30228357 0.85 KCNA3 (0.46) KCNA3CA12CA9ALDH1A1LMNA
SCHEMBL30228068 0.83 KCNA3 (0.45) KCNA3CA12CA9ALDH1A1LMNA
SCHEMBL30228119 0.79 KCNA3 (0.56) KCNA3CA12CA9ALDH1A1LMNA
SCHEMBL30228352 0.78 KCNA3 (0.55) KCNA3CA12CA9ALDH1A1LMNA
SCHEMBL30228244 0.77 KCNA3 (0.43) KCNA3CA12CA9ALDH1A1LMNA
SCHEMBL30228284 0.77 KCNA3 (0.52) KCNA3CA12CA9ALDH1A1LMNA
SCHEMBL30228199 0.77 KCNA3 (0.50) KCNA3CA12CA9ALDH1A1L3MBTL1
SCHEMBL30228438 0.75 KCNA3 (0.59) KCNA3CA12CA9ALDH1A1LMNA
SCHEMBL30227952 0.73 KCNA3 (0.59) KCNA3CA12CA9ALDH1A1LMNA

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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