SCHEMBL28609838

SCHEMBL28609838

COc1cc(-c2ccccc2)ccc1C(=O)NCc1c2c(c(C)[nH]c1=O)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 14/20 0.48
▸ EED O75530 1/20 0.48
▸ RBBP4 Q09028 1/20 0.48
▸ SUZ12 Q15022 1/20 0.48
▸ AEBP2 Q6ZN18 1/20 0.48
▸ ROCK2 O75116 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ EZH1 Q92800 3/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28595150 0.85 EZH2 (0.46) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL28613717 0.84 SMN1; SMN2 (0.52) EZH2EZH1KDM4EALDH1A1HSD17B10
SCHEMBL29473822 0.84 SMN1; SMN2 (0.52) EZH2EZH1KDM4EALDH1A1HSD17B10
SCHEMBL29473820 0.83 ROCK2 (0.49) EZH2ROCK2ROCK1
SCHEMBL30021488 0.80 EZH2 (0.50) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL28601010 0.78 EZH2 (0.45) EZH2ROCK2ROCK1EZH1ALDH1A1
SCHEMBL16935193 0.78 ALDH1A1 (0.47) EZH2EZH1KDM4EALDH1A1HPGD
SCHEMBL29473806 0.76 EZH2 (0.43) EZH2ROCK2ROCK1EZH1
SCHEMBL28598243 0.75 CCR5 (0.50) EZH2ALDH1A1HPGD
SCHEMBL28605072 0.75 EZH2 (0.46) EZH2EZH1KDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045494-B Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2022-04-26 — — CN disclosed
CN-113045494-A Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2021-06-29 — — CN disclosed
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