SCHEMBL30832779

SCHEMBL30832779

O=C(O)CCC(=O)Nc1ccccc1Nc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ BCL6 P41182 3/20 0.49
▸ BCOR Q6W2J9 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL20773182 1.00 MAPT (0.53) MAPTKDM4EBCL6BCORALDH1A1
SCHEMBL20773220 0.72 BCL6 (0.51) MAPTKDM4EBCL6BCORALDH1A1
SCHEMBL30832906 0.72 BCL6 (0.63) MAPTKDM4EBCL6BCORALDH1A1
SCHEMBL30832785 0.72 BCL6 (0.51) MAPTKDM4EBCL6BCORALDH1A1
SCHEMBL18687248 0.71 MAPT (0.76) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL20777328 0.70 MAPT (0.75) MAPTKDM4EALDH1A1CA12CA9
SCHEMBL27522853 0.70 MAPK13 (0.48) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL20772662 0.70 MAPT (0.69) MAPTKDM4EALDH1A1CA12CA9
SCHEMBL12863391 0.69 BCL6 (0.54) MAPTKDM4EBCL6BCORALDH1A1
SCHEMBL20772671 0.69 MAPT (0.69) MAPTKDM4EALDH1A1LMNAPKM

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-111315735-B Dihydrobenzimidazolone C4医药公司 2024-03-08 — — CN disclosed
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