SCHEMBL29438883

SCHEMBL29438883

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)c(-c3ccccn3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.40
▸ MMP9 P14780 4/20 0.40
▸ MMP13 P45452 4/20 0.40
▸ CCR6 P51684 2/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ BMP1 P13497 1/20 0.40
▸ ADAM17 P78536 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ NR1H3 Q13133 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ ACP1 P24666 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
SCHEMBL22718255 1.00 MMP1 (0.40) MMP1MMP9MMP13CCR6MDM2
SCHEMBL24496140 0.87 CCR6 (0.38) MMP1MMP9MMP13CCR6MDM2
SCHEMBL29438915 0.87 TEAD1 (0.49) MMP1MMP9MMP13CCR6MDM2
SCHEMBL22718251 0.87 TEAD1 (0.49) MMP1MMP9MMP13CCR6MDM2
SCHEMBL29438917 0.87 TEAD1 (0.49) MMP1MMP9MMP13CCR6MDM2
SCHEMBL24496004 0.86 BMP1 (0.39) MMP1MMP9MMP13CCR6MDM2
SCHEMBL24496286 0.86 CCR6 (0.38) MMP1MMP9MMP13CCR6MDM2
SCHEMBL29648328 0.86 CCR6 (0.38) MMP1MMP9MMP13CCR6MDM2
SCHEMBL22843482 0.86 CCR6 (0.43) CCR6KDM4EMAPTMEN1KMT2A
SCHEMBL22718153 0.86 MMP1 (0.40) MMP1MMP9MMP13CCR6MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954725-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-05-09 — — CN disclosed
CN-114466839-B TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-01-07 — — CN disclosed
EP-3976194-A2 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-04-06 — — EP disclosed
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