SCHEMBL24880306

SCHEMBL24880306

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)c(Br)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 3/20 0.52
▸ KMT2A Q03164 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ ACP1 P24666 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ PTGER1 P34995 1/20 0.41
▸ TEAD1 P28347 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH3A1 P30838 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ TP53 P04637 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
SCHEMBL29438912 0.88 MMP9 (0.43) BMP1KMT2ACA12CA1CA2
SCHEMBL22718087 0.88 MMP9 (0.43) BMP1KMT2ACA12CA1CA2
SCHEMBL30114488 0.86 BMP1 (0.60) BMP1KMT2AMMP1MMP9MMP13
SCHEMBL22718099 0.86 BMP1 (0.46) BMP1KMT2ACA12CA1CA2
SCHEMBL22718201 0.86 BMP1 (0.45) BMP1KMT2ACA12CA1CA2
SCHEMBL22718415 0.85 BMP1 (0.48) BMP1KMT2ACA12CA1CA2
SCHEMBL22718311 0.85 BMP1 (0.48) BMP1KMT2ACA12CA1CA2
SCHEMBL22718312 0.85 BMP1 (0.48) BMP1KMT2ACA12CA1CA2
SCHEMBL24497433 0.84 BMP1 (0.47) BMP1KMT2AMMP1MMP9MMP13
SCHEMBL24496385 0.83 BMP1 (0.43) BMP1CA12CA1CA2CA9

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
WO-2023016562-A1 POLYCYCLIC COMPOUND AND USE THEREOF 浙江同源康医药股份有限公司 2023-02-16 — — WO disclosed
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
Send feedback