SCHEMBL30876228

SCHEMBL30876228

COc1ccc(CN(C)S(=O)(=O)c2cnc(NCc3ccc(C(F)(F)F)cc3)c(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 1/20 0.47
▸ MMP1 P03956 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ ACP1 P24666 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29206993 1.00 BMP1 (0.47) BMP1MMP1MMP9MMP13AURKA
SCHEMBL30876275 0.91 NAMPT (0.46) BMP1MMP1MMP9MMP13AURKA
SCHEMBL29206926 0.91 NAMPT (0.46) BMP1MMP1MMP9MMP13AURKA
SCHEMBL24497433 0.89 BMP1 (0.47) BMP1MMP1MMP9MMP13ACP1
SCHEMBL30135124 0.87 ALDH1A1 (0.41) MMP9MMP13ALDH1A1CYP1A2CYP2D6
SCHEMBL29648392 0.85 BMP1 (0.44) BMP1MMP1MMP9MMP13MAPT
SCHEMBL24497371 0.85 BMP1 (0.44) BMP1MMP1MMP9MMP13MAPT
SCHEMBL24880372 0.84 BMP1 (0.47) BMP1MMP1MMP9MMP13ALDH1A1
SCHEMBL22718052 0.83 KDR (0.48) BMP1MMP1MMP9MMP13MAPT
SCHEMBL29438855 0.83 KDR (0.48) BMP1MMP1MMP9MMP13MAPT

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
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