SCHEMBL29822000

SCHEMBL29822000

COc1ccc(Cn2cc(Oc3c(Cl)cc(NN=C(C#N)C(=O)NC(=O)O)cc3Cl)ccc2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ RAPGEF3 O95398 7/20 0.37
▸ THRB P10828 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ GFER P55789 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.34

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
SCHEMBL29821968 0.94 ALOX12 (0.40) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29821844 0.93 MEN1 (0.37) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29821950 0.92 MEN1 (0.51) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29821753 0.92 ALOX12 (0.44) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29821725 0.88 MEN1 (0.40) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29821830 0.87 ALOX12 (0.41) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29821504 0.86 MEN1 (0.52) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29822193 0.86 MEN1 (0.52) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29821628 0.86 MEN1 (0.39) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL29822042 0.85 L3MBTL1 (0.39) MAPTALDH1A1GAALMNAMAPK1

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
EP-4036090-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-08-03 — — EP disclosed
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