SCHEMBL29260532

SCHEMBL29260532

O=C(O)c1ccc(Br)cc1CNc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.64
▸ MAPT P10636 5/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ LMNA P02545 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ GFER P55789 1/20 0.64
▸ TP53 P04637 1/20 0.51
▸ KDM4C Q9H3R0 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ BCL6 P41182 1/20 0.44
▸ BCOR Q6W2J9 1/20 0.44
▸ G6PD P11413 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL22160861 0.88 MAPT (0.54) GAAMAPTKDM4ELMNAMAPK1
SCHEMBL20773158 0.87 GAA (0.70) GAAMAPTKDM4ELMNAMAPK1
SCHEMBL29260536 0.79 MAPT (0.51) GAAMAPTKDM4ELMNAMAPK1
SCHEMBL17653370 0.75 GAA (0.69) GAAMAPTKDM4ELMNAMAPK1
SCHEMBL29857819 0.74 BCL6 (0.56) GAAMAPTKDM4ELMNAMAPK1
SCHEMBL20772803 0.74 BCL6 (0.56) GAAMAPTKDM4ELMNAMAPK1
SCHEMBL27770270 0.73 EGFR (0.60) MAPTKDM4CALDH1A1MEN1KMT2A
SCHEMBL27787480 0.71 EGFR (0.74) MAPTKDM4CALDH1A1
SCHEMBL29280284 0.69 BCL6 (0.70) MAPTKDM4ELMNAMAPK1ALDH1A1
SCHEMBL29280285 0.69 BCL6 (0.70) MAPTKDM4ELMNAMAPK1ALDH1A1

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-118206529-A Dihydrobenzimidazolone C4医药公司 2024-06-18 — — CN disclosed
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