SCHEMBL24865006

SCHEMBL24865006

O=C(c1c(O)c2c(ccc3c4ccccc4oc32)oc1=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 2/20 0.44
RECQL P46063 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALPI P09923 1/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 5/20 0.42

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
SCHEMBL24865005 0.86 CA12 (0.50) CA12CA9KDM4EMEN1KMT2A
SCHEMBL24865030 0.85 CA12 (0.47) CA12CA9KDM4EMEN1KMT2A
SCHEMBL24864745 0.84 CA12 (0.65) CA12CA9KDM4EMEN1KMT2A
SCHEMBL24864749 0.81 KDM4E (0.47) CA12CA9KDM4EMEN1KMT2A
SCHEMBL24865115 0.80 CA12 (0.52) CA12CA9KDM4EMEN1KMT2A
SCHEMBL24865188 0.79 CA12 (0.51) CA12CA9KDM4EMEN1KMT2A
SCHEMBL24864737 0.78 ALDH1A1 (0.42) CA12CA9KDM4EMEN1KMT2A
SCHEMBL24865003 0.77 ESR2 (0.39) CA12CA9KDM4EMEN1KMT2A
SCHEMBL24865002 0.76 CA12 (0.39) CA12CA9KDM4EMEN1KMT2A
SCHEMBL17844956 0.74 CA9 (0.48) CA12CA9KDM4EMEN1KMT2A

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
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed