SCHEMBL29821844

SCHEMBL29821844

COc1cccc(Cn2cc(Oc3c(Cl)cc(NN=C(C#N)C(=O)NC(=O)O)cc3Cl)ccc2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPT P10636 8/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PTGER3 P43115 2/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 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
SCHEMBL29822000 0.93 MAPT (0.43) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL29821951 0.93 MEN1 (0.48) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL29821968 0.89 ALOX12 (0.40) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL29822042 0.88 L3MBTL1 (0.39) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL29821753 0.87 ALOX12 (0.44) MEN1KMT2AALOX12MAPTALDH1A1
SCHEMBL29821504 0.86 MEN1 (0.52) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL29821628 0.86 MEN1 (0.39) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL29821950 0.85 MEN1 (0.51) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL29821725 0.84 MEN1 (0.40) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL29821962 0.83 MEN1 (0.37) MEN1KMT2AALOX12MAPTLMNA

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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