SCHEMBL30228412

SCHEMBL30228412

Cc1ccccc1-c1cc(=O)oc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 4/20 0.62
▸ ALDH1A1 P00352 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MAOA P21397 1/20 0.55
▸ NQO1 P15559 1/20 0.53
▸ CA12 O43570 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ CA1 P00915 1/20 0.51
▸ BRD4 O60885 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HPGD P15428 3/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ USP2 O75604 1/20 0.43

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
SCHEMBL5691199 1.00 KCNA3 (0.62) KCNA3ALDH1A1LMNASMN1; SMN2MAOA
SCHEMBL5396825 0.87 NQO1 (0.67) ALDH1A1LMNASMN1; SMN2MAOANQO1
SCHEMBL13769007 0.85 LMNA (0.59) KCNA3ALDH1A1LMNASMN1; SMN2MAOA
SCHEMBL30228452 0.85 ALDH1A1 (0.59) KCNA3ALDH1A1LMNASMN1; SMN2MAOA
SCHEMBL30228337 0.83 CA12 (0.65) KCNA3ALDH1A1LMNASMN1; SMN2MAOA
SCHEMBL22431749 0.83 CA12 (0.70) KCNA3ALDH1A1LMNAMAOACA12
SCHEMBL30227952 0.83 KCNA3 (0.59) KCNA3ALDH1A1LMNASMN1; SMN2MAOA
SCHEMBL30228248 0.83 CA12 (0.70) KCNA3ALDH1A1LMNAMAOACA12
SCHEMBL31089772 0.83 ALDH1A1 (0.50) KCNA3ALDH1A1LMNASMN1; SMN2MAOA
SCHEMBL30231784 0.81 KDM4E (0.67) KCNA3ALDH1A1LMNAMAOACA12

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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