SCHEMBL28514985

SCHEMBL28514985

Cc1ccc(OS(=O)(=O)c2ccc(C)cc2I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CA2 P00918 5/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PPARG P37231 2/20 0.41
CA12 O43570 2/20 0.39
PTGS2 P35354 1/20 0.39
ESR1 P03372 1/20 0.38
ATM Q13315 1/20 0.38
ESR2 Q92731 1/20 0.38
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 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
SCHEMBL28134701 0.90 LMNA (0.45) LMNACA2CA1CA9MEN1
SCHEMBL28743859 0.83 PPARG (0.47) LMNACA2CA1CA9MEN1
SCHEMBL8339186 0.76 LMNA (0.36) LMNACA2CA1CA9MEN1
SCHEMBL31469867 0.76 LMNA (0.47) LMNACA2CA1CA9MEN1
SCHEMBL6891702 0.74 ALDH1A1 (0.35) LMNACA2CA1CA9KMT2A
SCHEMBL27585872 0.72 CA1 (0.47) CA2CA1CA9MEN1KMT2A
SCHEMBL24278496 0.72 ALDH1A1 (0.39) CA2CA1CA9MEN1KMT2A
SCHEMBL31717331 0.72 TRPV4 (0.39) LMNACA2CA1CA9KMT2A
SCHEMBL3100955 0.71 MEN1 (0.53) LMNACA2CA1CA9MEN1
SCHEMBL8057975 0.71 MEN1 (0.53) LMNACA2CA1CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916836-B Method for producing 2-fluoro-4-borono-L-phenylalanine and precursor thereof 斯特拉制药公司 2021-02-09 CN disclosed