SCHEMBL28617513

SCHEMBL28617513

CC(=O)n1cc(C(=O)Nc2ccccc2C(=O)O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
POLB P06746 1/20 0.68
HPGD P15428 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CREBBP Q92793 18/20 0.66
EP300 Q09472 2/20 0.66
SLC22A12 Q96S37 1/20 0.56

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
SCHEMBL28579236 0.86 KMT2A (0.59) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL28623973 0.86 CREBBP (0.65) CREBBPEP300
SCHEMBL28613652 0.86 CREBBP (0.68) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL28612022 0.83 CREBBP (0.67) CREBBPEP300
SCHEMBL2815016 0.83 KDM4E (0.64) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL28616461 0.82 CREBBP (0.67) CREBBPEP300
SCHEMBL28613830 0.81 CREBBP (0.68) CREBBPEP300
SCHEMBL28614867 0.80 CREBBP (0.68) CREBBPEP300
SCHEMBL28612575 0.80 CREBBP (0.69) CREBBPEP300
SCHEMBL28613811 0.80 CREBBP (0.69) CREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113321640-B Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2023-06-09 CN disclosed
CN-109111427-B Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2023-06-02 CN disclosed
CN-113321640-A Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2021-08-31 CN disclosed