SCHEMBL24497433

SCHEMBL24497433

COc1ccc(CN(C)S(=O)(=O)c2cnc(Nc3ccc(C(F)(F)F)cc3)c(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 3/20 0.47
▸ MMP1 P03956 3/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ MMP13 P45452 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 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
▸ PTGER1 P34995 1/20 0.40
▸ ADAM17 P78536 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL22718052 0.90 KDR (0.48) BMP1MMP1MMP9MMP13KDM4E
SCHEMBL29438855 0.90 KDR (0.48) BMP1MMP1MMP9MMP13KDM4E
SCHEMBL29648392 0.89 BMP1 (0.44) BMP1MMP1MMP9MMP13NPSR1
SCHEMBL24497371 0.89 BMP1 (0.44) BMP1MMP1MMP9MMP13NPSR1
SCHEMBL29206993 0.89 BMP1 (0.47) BMP1MMP1MMP9MMP13NPSR1
SCHEMBL30876228 0.89 BMP1 (0.47) BMP1MMP1MMP9MMP13NPSR1
SCHEMBL24497406 0.86 BMP1 (0.43) BMP1MMP1MMP9MMP13NPSR1
SCHEMBL24880306 0.84 BMP1 (0.52) BMP1MMP1MMP9MMP13KDM4E
SCHEMBL24880372 0.84 BMP1 (0.47) BMP1MMP1MMP9MMP13NPSR1
SCHEMBL30876275 0.82 NAMPT (0.46) BMP1MMP1MMP9MMP13KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255895-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2023-10-11 — — EP 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-2022120354-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120354-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
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