SCHEMBL30228546

SCHEMBL30228546

Cc1ccccc1-c1cc(=O)oc2cc(C(=O)N(C)C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 4/20 0.52
▸ CA9 Q16790 6/20 0.45
▸ CA12 O43570 5/20 0.45
▸ ALDH2 P05091 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ HSD17B3 P37058 1/20 0.42
▸ SORD Q00796 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 5/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL30228438 0.86 KCNA3 (0.59) KCNA3CA9CA12ALDH2AKR1B1
SCHEMBL30227982 0.86 KCNA3 (0.55) KCNA3CA9CA12ALDH2AKR1B1
SCHEMBL30228361 0.85 KCNA3 (0.46) KCNA3CA9CA12ALDH2AKR1B1
SCHEMBL30228314 0.83 NPC1 (0.43) KCNA3CA9CA12
SCHEMBL30228284 0.82 KCNA3 (0.52) KCNA3CA9CA12ALDH2AKR1B1
SCHEMBL30228398 0.80 NPC1 (0.51) KCNA3MAOBALDH1A1KDM4EGAA
SCHEMBL30228077 0.79 KCNA3 (0.56) KCNA3CA9CA12ALDH2AKR1B1
SCHEMBL30228307 0.79 KCNA3 (0.51) KCNA3CA9CA12ALDH2AKR1B1
SCHEMBL22431749 0.79 CA12 (0.70) KCNA3CA9CA12ALDH2AKR1B1
SCHEMBL30228248 0.79 CA12 (0.70) KCNA3CA9CA12ALDH2AKR1B1

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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