SCHEMBL29059727

SCHEMBL29059727

O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Cl)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 19/20 1.00
ANO2 Q9NQ90 1/20 0.71
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70

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
SCHEMBL30489870 0.93 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059753 0.93 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059737 0.92 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059597 0.92 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL13838015 0.92 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL28595212 0.91 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059715 0.89 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL13926188 0.89 MEN1 (0.88) ANO1ANO2MEN1KMT2A
SCHEMBL30489873 0.89 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059731 0.89 ANO1 (1.00) ANO1ANO2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444481-A 4-arylthiophene carboxylic acid compounds as ANO1 protein inhibitors 北京大学 2023-07-18 CN claimed
CN-116444481-A 4-arylthiophene carboxylic acid compounds as ANO1 protein inhibitors 北京大学 2023-07-18 CN disclosed