SCHEMBL31331877

SCHEMBL31331877

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)cc2-c2cn(C(C)C)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ LIPE Q05469 1/20 0.37
▸ CCR6 P51684 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BMP1 P13497 2/20 0.35
▸ TNNI3K Q59H18 1/20 0.34
▸ PAX8 Q06710 6/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ MDM2 Q00987 1/20 0.33

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
SCHEMBL31331799 0.87 CCR6 (0.41) CDK5CDK5R1LIPECCR6KDM4E
SCHEMBL31331781 0.86 LIPE (0.41) CDK5CDK5R1LIPECCR6KDM4E
SCHEMBL31331755 0.85 CDK5 (0.41) CDK5CDK5R1LIPECCR6KDM4E
SCHEMBL22718139 0.85 CCR6 (0.40) CDK5CDK5R1CCR6KDM4EMEN1
SCHEMBL30114634 0.78 BMP1 (0.50) LIPECCR6KDM4EMEN1MAPT
SCHEMBL31332132 0.77 CDK5 (0.40) CDK5CDK5R1
SCHEMBL29438915 0.75 TEAD1 (0.49) CCR6KDM4EMEN1MAPTKMT2A
SCHEMBL22718251 0.75 TEAD1 (0.49) CCR6KDM4EMEN1MAPTKMT2A
SCHEMBL29438917 0.75 TEAD1 (0.49) CCR6KDM4EMEN1MAPTKMT2A
SCHEMBL22718145 0.75 BMP1 (0.38) CDK5CDK5R1KDM4EBMP1MMP1

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-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
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