SCHEMBL24865005

SCHEMBL24865005

O=C(c1c(O)c2c(ccc3oc4ccccc4c32)oc1=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
LMNA P02545 5/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 4/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 3/20 0.43
KMT2A Q03164 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NQO1 P15559 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 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
SCHEMBL24864745 0.87 CA12 (0.65) CA12CA9LMNAHPGDALDH1A1
SCHEMBL24865030 0.86 CA12 (0.47) CA12CA9LMNAHPGDALDH1A1
SCHEMBL24865006 0.86 CA12 (0.47) CA12CA9LMNAHPGDALDH1A1
SCHEMBL24864749 0.84 KDM4E (0.47) CA12CA9LMNAHPGDALDH1A1
SCHEMBL24865115 0.83 CA12 (0.52) CA12CA9LMNAHPGDALDH1A1
SCHEMBL24865188 0.82 CA12 (0.51) CA12CA9LMNAHPGDALDH1A1
SCHEMBL24865002 0.81 CA12 (0.39) CA12CA9LMNAHPGDALDH1A1
SCHEMBL24865008 0.79 HTT (0.40) CA12CA9LMNAHPGDALDH1A1
SCHEMBL24865003 0.78 ESR2 (0.39) CA12CA9LMNAHPGDALDH1A1
SCHEMBL17844956 0.77 CA9 (0.48) CA12CA9LMNAHPGDALDH1A1

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