SCHEMBL24496161

SCHEMBL24496161

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
MMP1 P03956 1/20 0.41
SCN3A Q9NY46 1/20 0.41
IDH2 P48735 8/20 0.41
PTGS2 P35354 1/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
PNMT P11086 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
NAMPT P43490 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 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
SCHEMBL29648341 1.00 CYP19A1 (0.47) CYP19A1MMP1SCN3AIDH2PTGS2
SCHEMBL29648307 0.88 CYP19A1 (0.47) CYP19A1MMP1SCN3APTGS2CA2
SCHEMBL24496068 0.88 CYP19A1 (0.47) CYP19A1MMP1SCN3APTGS2CA2
SCHEMBL25801783 0.87 TEAD1 (0.46) CYP19A1MMP1PTGS2CA2CA1
SCHEMBL29648404 0.86 CYP19A1 (0.45) CYP19A1MMP1SCN3AIDH2PTGS2
SCHEMBL24496309 0.86 CYP19A1 (0.45) CYP19A1MMP1SCN3AIDH2PTGS2
SCHEMBL24496051 0.84 MMP1 (0.49) CYP19A1MMP1CA2CA1CA12
SCHEMBL24496152 0.84 CNR2 (0.47) CYP19A1SCN3AIDH2CA2CA1
SCHEMBL29648340 0.84 PTGS2 (0.43) CYP19A1MMP1SCN3APTGS2CA2
SCHEMBL24496010 0.84 ALDH1A1 (0.51) CYP19A1CA2CA1CA12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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