SCHEMBL29821968

SCHEMBL29821968

Cc1ccc(Cn2cc(Oc3c(Cl)cc(NN=C(C#N)C(=O)NC(=O)O)cc3Cl)ccc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ RAPGEF3 O95398 5/20 0.37
▸ THRB P10828 2/20 0.36
▸ MAPT P10636 8/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33

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 0.94 MAPT (0.43) ALOX12MEN1KMT2ARAPGEF3THRB
SCHEMBL29821753 0.93 ALOX12 (0.44) ALOX12MEN1KMT2ARAPGEF3THRB
SCHEMBL29822193 0.92 MEN1 (0.52) ALOX12MEN1KMT2ARAPGEF3THRB
SCHEMBL29821844 0.89 MEN1 (0.37) ALOX12MEN1KMT2ATHRBMAPT
SCHEMBL29821830 0.87 ALOX12 (0.41) ALOX12MEN1KMT2ARAPGEF3THRB
SCHEMBL29821504 0.87 MEN1 (0.52) ALOX12MEN1KMT2ARAPGEF3THRB
SCHEMBL29821725 0.87 MEN1 (0.40) ALOX12MEN1KMT2ARAPGEF3THRB
SCHEMBL29821950 0.86 MEN1 (0.51) ALOX12MEN1KMT2ARAPGEF3THRB
SCHEMBL29821628 0.86 MEN1 (0.39) ALOX12MEN1KMT2ARAPGEF3THRB
SCHEMBL29821836 0.86 THRB (0.57) ALOX12MEN1KMT2ARAPGEF3THRB

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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