SCHEMBL30489869

SCHEMBL30489869

O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Br)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 18/20 1.00
ANO2 Q9NQ90 1/20 0.82
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL29059770 1.00 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059731 0.93 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL30489873 0.93 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL30489870 0.90 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059753 0.90 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059595 0.90 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL29059774 0.88 ANO1 (1.00) ANO1ANO2MEN1KMT2A
SCHEMBL12314194 0.86 MEN1 (0.84) ANO1ANO2MEN1KMT2A
SCHEMBL29059583 0.85 ANO1 (1.00) ANO1ANO2
SCHEMBL29059724 0.85 ANO1 (1.00) ANO1ANO2

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