SCHEMBL30114634

SCHEMBL30114634

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 3/20 0.50
▸ LIPE Q05469 1/20 0.49
▸ CCR6 P51684 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MMP1 P03956 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ MDM2 Q00987 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ DAGLA Q9Y4D2 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL30114488 0.87 BMP1 (0.60) BMP1MAPTKDM4EMEN1KMT2A
SCHEMBL22718099 0.85 BMP1 (0.46) BMP1CCR6MAPTKDM4EMEN1
SCHEMBL24497371 0.83 BMP1 (0.44) BMP1LIPECCR6MAPTKDM4E
SCHEMBL29648392 0.83 BMP1 (0.44) BMP1LIPECCR6MAPTKDM4E
SCHEMBL29648375 0.83 MAPT (0.44) BMP1LIPECCR6MAPTKDM4E
SCHEMBL24497405 0.83 MAPT (0.44) BMP1LIPECCR6MAPTKDM4E
SCHEMBL29648360 0.81 MAPT (0.42) BMP1LIPECCR6MAPTKDM4E
SCHEMBL24497376 0.81 MAPT (0.42) BMP1LIPECCR6MAPTKDM4E
SCHEMBL24879920 0.80 CCR6 (0.40) BMP1LIPECCR6MAPTKDM4E
SCHEMBL22718255 0.80 MMP1 (0.40) BMP1LIPECCR6MAPTKDM4E

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-115594680-A TEAD inhibitor 武汉人福创新药物研发中心有限公司(CN) 2023-01-13 — — CN disclosed
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 — — WO disclosed
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