SCHEMBL24497371

SCHEMBL24497371

COc1ccc(CN(C)S(=O)(=O)c2cnc(Nc3ccc(C(F)(F)F)cn3)c(Br)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 3/20 0.44
▸ CCR6 P51684 1/20 0.42
▸ MMP1 P03956 3/20 0.42
▸ MMP9 P14780 3/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ ADAM17 P78536 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LIPE Q05469 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ POLB P06746 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
SCHEMBL29648392 1.00 BMP1 (0.44) BMP1CCR6MMP1MMP9MMP13
SCHEMBL24497433 0.89 BMP1 (0.47) BMP1MMP1MMP9MMP13MAPT
SCHEMBL22718099 0.88 BMP1 (0.46) BMP1CCR6MMP1MMP9MMP13
SCHEMBL24497376 0.87 MAPT (0.42) BMP1CCR6MMP1MMP9MMP13
SCHEMBL29648360 0.87 MAPT (0.42) BMP1CCR6MMP1MMP9MMP13
SCHEMBL29206993 0.85 BMP1 (0.47) BMP1MMP1MMP9MMP13MAPT
SCHEMBL30876228 0.85 BMP1 (0.47) BMP1MMP1MMP9MMP13MAPT
SCHEMBL22718052 0.85 KDR (0.48) BMP1MMP1MMP9MMP13MAPT
SCHEMBL29438855 0.85 KDR (0.48) BMP1MMP1MMP9MMP13MAPT
SCHEMBL30114634 0.83 BMP1 (0.50) BMP1CCR6MMP1MMP9MMP13

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
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-2022120354-A1 TEAD INHIBITORS 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
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