SCHEMBL30697391

SCHEMBL30697391

COc1ccc2c3ccccc3n(-c3cc(Br)ccn3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
DYRK1A Q13627 10/20 0.43
MAOA P21397 2/20 0.43
ACHE P22303 1/20 0.38
HASPIN Q8TF76 3/20 0.37
HTR2C P28335 2/20 0.37
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK2 Q92630 1/20 0.37

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
SCHEMBL27024577 1.00 HTT (0.43) HTTKDM4EMEN1MAPTKMT2A
SCHEMBL15063582 0.86 DYRK1A (0.47) HTTKDM4EMEN1MAPTKMT2A
SCHEMBL20201844 0.85 KDM4E (0.39) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL15063446 0.84 KDM4E (0.48) HTTKDM4EMEN1MAPTKMT2A
SCHEMBL25279600 0.83 DYRK1A (0.39) HTTKDM4EMEN1MAPTKMT2A
SCHEMBL20591278 0.82 KDM4E (0.45) HTTKDM4EMEN1MAPTKMT2A
SCHEMBL29832903 0.82 KDM4E (0.45) HTTKDM4EMEN1MAPTKMT2A
SCHEMBL31211699 0.81 SCN5A (0.37) MEN1MAPTKMT2AL3MBTL1CASP3
SCHEMBL29155361 0.81 MKNK1 (0.31) EGFR
SCHEMBL30586510 0.80 DYRK1A (0.39) HTTKDM4EMEN1MAPTKMT2A

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
CN-117327124-A Organometallic compound, light-emitting device, electronic device, and electronic apparatus 三星显示有限公司 2024-01-02 CN disclosed