SCHEMBL28630407

SCHEMBL28630407

CC(=O)n1cc(C(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 19/20 0.63
EP300 Q09472 3/20 0.60
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
TRIM24 O15164 1/20 0.53
BRD4 O60885 1/20 0.53
BAZ2B Q9UIF8 1/20 0.53

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
SCHEMBL28623958 0.77 CREBBP (1.00) CREBBPEP300KDM4ETRIM24BRD4
SCHEMBL28616446 0.77 CREBBP (0.55) CREBBPEP300KDM4EMEN1ALDH1A1
SCHEMBL28631619 0.75 CREBBP (1.00) CREBBPEP300TRIM24BRD4BAZ2B
SCHEMBL28624532 0.74 CREBBP (1.00) CREBBPEP300TRIM24BRD4BAZ2B
SCHEMBL28614727 0.73 CREBBP (0.80) CREBBPEP300TRIM24BRD4BAZ2B
SCHEMBL28625528 0.73 CREBBP (1.00) CREBBPEP300TRIM24BRD4BAZ2B
SCHEMBL4207590 0.73 CREBBP (0.63) CREBBPEP300KDM4EMEN1ALDH1A1
SCHEMBL28619691 0.73 TAF1 (0.67) CREBBPEP300KDM4EMEN1ALDH1A1
SCHEMBL30393642 0.73 TAF1 (0.67) CREBBPEP300KDM4EMEN1ALDH1A1
SCHEMBL5567714 0.72 MAPT (1.00) KDM4EMEN1ALDH1A1MAPTKMT2A

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