SCHEMBL30228554

SCHEMBL30228554

COc1ccc(CNc2ccc3c(-c4ccccc4C)cc(=O)oc3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.45
▸ ALB P02768 1/20 0.45
▸ KCNA3 P22001 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30228464 0.83 MAOB (0.62) MAOBALBKCNA3ALDH1A1LMNA
SCHEMBL30227891 0.80 IGLV6-57 (0.43) KCNA3ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL30228349 0.78 KMT2A (0.57) MAOBALBKCNA3ALDH1A1LMNA
SCHEMBL30228271 0.77 ALB (0.47) MAOBALBKCNA3ALDH1A1LMNA
SCHEMBL30228107 0.77 ALB (0.47) MAOBALBKCNA3ALDH1A1LMNA
SCHEMBL30227897 0.75 ALB (0.48) MAOBALBKCNA3ALDH1A1LMNA
SCHEMBL30228021 0.75 ALB (0.48) MAOBALBKCNA3ALDH1A1LMNA
SCHEMBL30228165 0.75 ALB (0.48) MAOBALBKCNA3ALDH1A1LMNA
SCHEMBL30228128 0.74 CA12 (0.54) MAOBALBKCNA3ALDH1A1LMNA
SCHEMBL30227920 0.73 KCNA3 (0.53) MAOBKCNA3ALDH1A1KMT2ACYP2C9

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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