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Sugi Predict / Compounds / SCHEMBL29135847

SCHEMBL29135847

SCHEMBL29135847

Cc1nn(CC2CCC2)c(C)c1-c1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.50
▸ BRD2 P25440 1/20 0.45
▸ BRD3 Q15059 1/20 0.45
▸ BRDT Q58F21 1/20 0.45
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL30635238 1.00 BRD4 (0.50) BRD4BRD2BRD3BRDTMEN1
SCHEMBL30635223 0.98 BRD4 (0.50) BRD4BRD2BRD3BRDTMEN1
SCHEMBL29135843 0.98 BRD4 (0.50) BRD4BRD2BRD3BRDTMEN1
SCHEMBL30635230 0.97 BRD4 (0.51) BRD4BRD2BRD3BRDTMEN1
SCHEMBL29135861 0.97 BRD4 (0.51) BRD4BRD2BRD3BRDTMEN1
SCHEMBL30635187 0.96 BRD4 (0.48) BRD4BRD2BRD3BRDTMEN1
SCHEMBL29135859 0.96 BRD4 (0.48) BRD4BRD2BRD3BRDTMEN1
SCHEMBL30635216 0.83 BRD4 (0.44) BRD4BRD2BRD3BRDT
SCHEMBL29135871 0.83 BRD4 (0.44) BRD4BRD2BRD3BRDT
SCHEMBL29109204 0.81 BRD4 (0.49) BRD4BRD2BRD3BRDTMEN1

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-117050074-A Pyridine bisimidazopyridine compound and preparation method and application thereof 中国药科大学 2023-11-14 — — CN disclosed