SCHEMBL30954968

SCHEMBL30954968

COc1ccc(CN2C[C@@H](N=[N+]=[N-])[C@@](C)(F)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
GRM2 Q14416 1/20 0.42
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40
CMA1 P23946 1/20 0.39
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL30954943 0.78 GAA (0.48) GAAGRM2MMP1MMP13CMA1
SCHEMBL30954933 0.78 GAA (0.48) GAAGRM2MMP1MMP13CMA1
SCHEMBL20589185 0.74 AR (0.46) GAAGRM2MMP1MMP13CMA1
SCHEMBL20589183 0.74 AR (0.46) GAAGRM2MMP1MMP13CMA1
SCHEMBL30954984 0.73 GAA (0.43) GAAGRM2MMP1MMP13CMA1
SCHEMBL30954901 0.73 GAA (0.43) GAAGRM2MMP1MMP13CMA1
SCHEMBL30714028 0.72 GAA (0.49) GAAGRM2MMP1MMP13CMA1
SCHEMBL21180527 0.69 KMT2A (0.43) GAACYP19A1MEN1KMT2AGSK3A
SCHEMBL13471917 0.67 GAA (0.43) GAAGRM2MMP1MMP13CMA1
SCHEMBL23794645 0.66 GAA (0.55) GAAGRM2MMP1MMP13CMA1

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
EP-4626546-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-10-08 EP disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed