SCHEMBL28616446

SCHEMBL28616446

CC(=O)n1cc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 17/20 0.55
EP300 Q09472 2/20 0.53
PKM P14618 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL28623973 0.83 CREBBP (0.65) CREBBPEP300
SCHEMBL28630407 0.77 CREBBP (0.63) CREBBPEP300KDM4EMEN1ALDH1A1
SCHEMBL14402986 0.73 HCAR3 (0.72) PKMALDH1A1MAPT
SCHEMBL978546 0.73 MAPT (0.64) PKMKDM4EMEN1ALDH1A1MAPT
SCHEMBL31331661 0.73 MAPT (0.64) PKMKDM4EMEN1ALDH1A1MAPT
SCHEMBL17023558 0.73 MAPT (0.58) CREBBPPKMKDM4EMEN1ALDH1A1
SCHEMBL28617513 0.73 KDM4E (0.68) CREBBPEP300KDM4EALDH1A1
SCHEMBL1530164 0.71 KDM4E (0.62) PKMKDM4EMEN1ALDH1A1MAPT
SCHEMBL11460094 0.70 MAPK1 (0.56) PKMKDM4EMEN1ALDH1A1MAPT
SCHEMBL28613652 0.70 CREBBP (0.68) CREBBPEP300KDM4EALDH1A1

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