SCHEMBL24880372

SCHEMBL24880372

COc1ccc(CN(C)S(=O)(=O)c2cnc(Oc3ccc(C(F)(F)F)cc3)c(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 3/20 0.47
▸ MMP1 P03956 3/20 0.42
▸ MMP9 P14780 3/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ NPBWR1 P48145 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL30114437 0.87 BMP1 (0.46) BMP1MMP1MMP9MMP13LMNA
SCHEMBL28961312 0.87 BMP1 (0.46) BMP1MMP1MMP9MMP13LMNA
SCHEMBL29206993 0.84 BMP1 (0.47) BMP1MMP1MMP9MMP13LMNA
SCHEMBL24497433 0.84 BMP1 (0.47) BMP1MMP1MMP9MMP13LMNA
SCHEMBL30876228 0.84 BMP1 (0.47) BMP1MMP1MMP9MMP13LMNA
SCHEMBL29648392 0.81 BMP1 (0.44) BMP1MMP1MMP9MMP13LMNA
SCHEMBL24497371 0.81 BMP1 (0.44) BMP1MMP1MMP9MMP13LMNA
SCHEMBL22718052 0.78 KDR (0.48) BMP1MMP1MMP9MMP13LMNA
SCHEMBL29438855 0.78 KDR (0.48) BMP1MMP1MMP9MMP13LMNA
SCHEMBL24497380 0.78 LMNA (0.44) MMP9MMP13LMNAALDH1A1

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-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
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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