SCHEMBL23168957

SCHEMBL23168957

Nc1cc(Br)c(Oc2ccc(=O)n(Cc3ccccc3)c2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MKNK1 Q9BUB5 3/20 0.42
▸ MKNK2 Q9HBH9 3/20 0.42
▸ BRD4 O60885 2/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ ADRA1D P25100 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ THRA P10827 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ ABHD6 Q9BV23 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ SNRNP200 O75643 1/20 0.35

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
SCHEMBL24820993 0.87 MKNK1 (0.42) MEN1KMT2AMKNK1MKNK2BRD4
SCHEMBL23168794 0.86 HPGD (0.43) MEN1KMT2AMKNK1MKNK2BRD4
SCHEMBL29821674 0.84 MEN1 (0.40) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL23168654 0.76 MAPT (0.51) MEN1KMT2AALDH1A1ADRA1D
SCHEMBL29821419 0.76 MAPT (0.51) MEN1KMT2AALDH1A1ADRA1D
SCHEMBL23168928 0.75 THRB (0.38) MKNK1MKNK2THRATHRB
SCHEMBL23168940 0.75 MAPT (0.40) KMT2ATHRATHRB
SCHEMBL23168931 0.75 NPBWR1 (0.46) —
SCHEMBL23168775 0.75 MAPT (0.43) MEN1KMT2AALDH1A1
SCHEMBL24819269 0.74 NPBWR1 (0.50) MKNK1MKNK2THRATHRB

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
WO-2021057791-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF 广东东阳光药业有限公司 2021-04-01 — — WO disclosed
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