SCHEMBL25801783

SCHEMBL25801783

CNS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.46
PTGS2 P35354 1/20 0.45
YAP1 P46937 1/20 0.44
CYP19A1 P11511 1/20 0.44
CA2 P00918 5/20 0.42
CA1 P00915 4/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
TNNI3K Q59H18 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
GHSR Q92847 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29648340 0.92 PTGS2 (0.43) TEAD1PTGS2YAP1CYP19A1CA2
SCHEMBL29648307 0.89 CYP19A1 (0.47) PTGS2CYP19A1CA2CA1CA12
SCHEMBL24496068 0.89 CYP19A1 (0.47) PTGS2CYP19A1CA2CA1CA12
SCHEMBL29648413 0.87 CYP19A1 (0.47) CYP19A1CA2CA1MMP1
SCHEMBL24496161 0.87 CYP19A1 (0.47) PTGS2CYP19A1CA2CA1CA12
SCHEMBL24496119 0.87 CYP19A1 (0.47) CYP19A1CA2CA1MMP1
SCHEMBL29648341 0.87 CYP19A1 (0.47) PTGS2CYP19A1CA2CA1CA12
SCHEMBL24496072 0.85 ALDH1A1 (0.46) PTGS2CYP19A1CA2CA1CA12
SCHEMBL24496309 0.85 CYP19A1 (0.45) PTGS2CYP19A1CA2CA1CA12
SCHEMBL24496144 0.85 MAPT (0.43) TEAD1PTGS2CYP19A1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211889-A1 POLYMORPHIC COMPOUNDS AND USES THEREOF Ikena Oncology, Inc. (US) 2023-11-02 WO disclosed
WO-2023114984-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2023-06-22 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