SCHEMBL24496385

SCHEMBL24496385

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ncc(C(F)(F)F)cc3C)c(Br)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 2/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ MMP1 P03956 8/20 0.41
▸ MMP9 P14780 8/20 0.41
▸ MMP13 P45452 8/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ADAM17 P78536 6/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22718201 0.88 BMP1 (0.45) BMP1MDM2MMP1MMP9MMP13
SCHEMBL22718099 0.87 BMP1 (0.46) BMP1MDM2MMP1MMP9MMP13
SCHEMBL29648305 0.84 TEAD1 (0.47) BMP1MDM2MMP1MMP9MMP13
SCHEMBL24496354 0.84 TEAD1 (0.47) BMP1MDM2MMP1MMP9MMP13
SCHEMBL24880306 0.83 BMP1 (0.52) BMP1MMP1MMP9MMP13CA12
SCHEMBL22718087 0.83 MMP9 (0.43) BMP1MDM2MMP1MMP9MMP13
SCHEMBL29438912 0.83 MMP9 (0.43) BMP1MDM2MMP1MMP9MMP13
SCHEMBL22718248 0.80 PTGER2 (0.41) BMP1MMP1MMP9MMP13MAPT
SCHEMBL22718297 0.80 CA12 (0.42) BMP1MMP1MMP9MMP13MAPT
SCHEMBL29438885 0.80 CA12 (0.42) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281073-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER Ikena Oncology, Inc. (US) 2023-11-29 — — EP disclosed
WO-2022159986-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER Ikena Oncology, Inc. (US) 2022-07-28 — — WO disclosed
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
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