SCHEMBL29822156

SCHEMBL29822156

N#CC(=NNc1cc(Cl)c(Oc2cnc(=O)n(Cc3ccc(F)cc3)c2)c(Cl)c1)C(=O)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RAPGEF3 O95398 10/20 0.34
▸ MAPT P10636 3/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29822138 0.92 ALOX12 (0.55) ALOX12THRBMEN1KMT2ARAPGEF3
SCHEMBL29821753 0.88 ALOX12 (0.44) ALOX12THRBMEN1KMT2ARAPGEF3
SCHEMBL30151619 0.85 MEN1 (0.50) ALOX12THRBMEN1KMT2AMAPT
SCHEMBL29821968 0.81 ALOX12 (0.40) ALOX12THRBMEN1KMT2ARAPGEF3
SCHEMBL29822257 0.80 MEN1 (0.39) ALOX12THRBMEN1KMT2ARAPGEF3
SCHEMBL29822000 0.80 MAPT (0.43) ALOX12THRBMEN1KMT2ARAPGEF3
SCHEMBL29821836 0.80 THRB (0.57) ALOX12THRBMEN1KMT2ARAPGEF3
SCHEMBL29822006 0.79 KMT2A (0.42) ALOX12THRBMEN1KMT2ARAPGEF3
SCHEMBL30513926 0.77 ALOX12 (0.39) ALOX12THRBMEN1KMT2ARAPGEF3
SCHEMBL29821830 0.75 ALOX12 (0.41) ALOX12THRBMEN1KMT2ARAPGEF3

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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