SCHEMBL24879920

SCHEMBL24879920

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)c(B3OC(C)(C)C(C)(C)O3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.40
▸ BMP1 P13497 2/20 0.40
▸ LIPE Q05469 6/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ DAGLA Q9Y4D2 1/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL29704136 0.85 CCR6 (0.41) CCR6BMP1LIPEMDM2ABHD6
SCHEMBL22718099 0.84 BMP1 (0.46) CCR6BMP1MDM2DAGLAMMP1
SCHEMBL29648375 0.82 MAPT (0.44) CCR6BMP1LIPEMDM2ABHD6
SCHEMBL24497405 0.82 MAPT (0.44) CCR6BMP1LIPEMDM2ABHD6
SCHEMBL30114634 0.80 BMP1 (0.50) CCR6BMP1LIPEMDM2DAGLA
SCHEMBL29438883 0.79 MMP1 (0.40) CCR6BMP1LIPEMDM2MMP1
SCHEMBL22718255 0.79 MMP1 (0.40) CCR6BMP1LIPEMDM2MMP1
SCHEMBL29438917 0.79 TEAD1 (0.49) CCR6BMP1MDM2MMP1MMP9
SCHEMBL22718251 0.79 TEAD1 (0.49) CCR6BMP1MDM2MMP1MMP9
SCHEMBL29438915 0.79 TEAD1 (0.49) CCR6BMP1MDM2MMP1MMP9

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
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 — — WO disclosed
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