SCHEMBL31331781

SCHEMBL31331781

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)cc2-c2cn(Cc3ccccc3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 2/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MMP1 P03956 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ CCR6 P51684 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ ACP1 P24666 2/20 0.34
▸ TNNI3K Q59H18 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ NR3C1 P04150 1/20 0.34

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
SCHEMBL31331877 0.86 CDK5 (0.39) LIPECDK5CDK5R1MMP1MMP9
SCHEMBL22718153 0.86 MMP1 (0.40) LIPECDK5CDK5R1MMP1MMP9
SCHEMBL31331799 0.85 CCR6 (0.41) LIPECDK5CDK5R1KDM4EMEN1
SCHEMBL31331755 0.84 CDK5 (0.41) LIPECDK5CDK5R1MMP1MMP9
SCHEMBL31332175 0.82 TNNI3K (0.47) LIPEKDM4EMEN1MAPTKMT2A
SCHEMBL22718290 0.78 CCR6 (0.37) LIPEMMP1MMP9MMP13KDM4E
SCHEMBL29438945 0.78 CCR6 (0.37) LIPEMMP1MMP9MMP13KDM4E
SCHEMBL30114634 0.76 BMP1 (0.50) LIPEMMP1MMP9MMP13KDM4E
SCHEMBL24496050 0.75 TEAD1 (0.39) LIPEMMP1MMP9MMP13KDM4E
SCHEMBL31332132 0.75 CDK5 (0.40) CDK5CDK5R1

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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