SCHEMBL24865115

SCHEMBL24865115

O=C(c1c(O)c2cc3oc4ccccc4c3cc2oc1=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL24865188 0.96 CA12 (0.51) CA12CA9LMNAHTTSMN1; SMN2
SCHEMBL24864745 0.89 CA12 (0.65) CA12CA9LMNAHTTSMN1; SMN2
SCHEMBL24864845 0.84 CA12 (0.44) CA12CA9LMNAHTTSMN1; SMN2
SCHEMBL24865005 0.83 CA12 (0.50) CA12CA9LMNAHTTSMN1; SMN2
SCHEMBL24865031 0.82 CA12 (0.41) CA12CA9LMNAHTTSMN1; SMN2
SCHEMBL24865044 0.81 CA12 (0.45) CA12CA9LMNAHTTSMN1; SMN2
SCHEMBL24864998 0.80 NQO1 (0.57) CA12CA9LMNASMN1; SMN2HPGD
SCHEMBL24865006 0.80 CA12 (0.47) CA12CA9LMNAHTTSMN1; SMN2
SCHEMBL24865030 0.80 CA12 (0.47) CA12CA9LMNAHTTSMN1; SMN2
SCHEMBL24864999 0.78 CA9 (0.68) CA12CA9LMNATSHRHPGD

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