SCHEMBL30876286

SCHEMBL30876286

COc1ccc(CN(C)S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.56
NFE2L2 Q16236 3/20 0.56
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.48
CYP11B1 P15538 1/20 0.47
MEN1 O00255 1/20 0.47
CXCR3 P49682 1/20 0.47
MMP9 P14780 2/20 0.47
MMP2 P08253 1/20 0.47
NAMPT P43490 1/20 0.47
APLNR P35414 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL28773435 0.89 TAS2R14 (0.61) KEAP1NFE2L2ALDH1A1MAPTTAS2R14
SCHEMBL29910182 0.89 TAS2R14 (0.61) KEAP1NFE2L2ALDH1A1MAPTTAS2R14
SCHEMBL29642739 0.86 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTCYP11B1MEN1
SCHEMBL30014545 0.83 APLNR (0.51) KMT2ATAS2R14MEN1CXCR3NAMPT
SCHEMBL14285692 0.83 TAS2R14 (0.64) ALDH1A1TAS2R14CXCR3APLNR
SCHEMBL13626593 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTCYP11B1MEN1
SCHEMBL30655988 0.79 APLNR (0.48) KMT2ATAS2R14MEN1CXCR3APLNR
SCHEMBL22265923 0.77 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTTAS2R14MEN1
SCHEMBL28413113 0.77 NAMPT (0.64) KEAP1NFE2L2ALDH1A1NAMPT
SCHEMBL12077955 0.76 NAPRT (0.50) KEAP1NFE2L2ALDH1A1MAPT

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
WO-2024099435-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2024-05-16 WO disclosed
CN-118005606-A TEAD inhibitors 武汉人福创新药物研发中心有限公司 2024-05-10 CN disclosed