SCHEMBL29438912

SCHEMBL29438912

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)nc3)c(Br)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 8/20 0.43
▸ MMP13 P45452 8/20 0.43
▸ MMP1 P03956 6/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ BMP1 P13497 2/20 0.41
▸ ADAM17 P78536 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL22718087 1.00 MMP9 (0.43) MMP9MMP13MMP1CA12CA1
SCHEMBL24880306 0.88 BMP1 (0.52) MMP9MMP13MMP1CA12CA1
SCHEMBL22718201 0.85 BMP1 (0.45) MMP9MMP13MMP1CA12CA1
SCHEMBL22843409 0.84 CYP2C9 (0.37) CA2KDM4EMEN1KMT2A
SCHEMBL22718297 0.84 CA12 (0.42) MMP9MMP13MMP1CA12CA1
SCHEMBL29438885 0.84 CA12 (0.42) MMP9MMP13MMP1CA12CA1
SCHEMBL22718099 0.84 BMP1 (0.46) MMP9MMP13MMP1CA12CA1
SCHEMBL22718146 0.83 TEAD1 (0.51) MMP9MMP13MMP1BMP1KDM4E
SCHEMBL29438859 0.83 TEAD1 (0.51) MMP9MMP13MMP1BMP1KDM4E
SCHEMBL24496385 0.83 BMP1 (0.43) MMP9MMP13MMP1CA12CA1

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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