SCHEMBL30171444

SCHEMBL30171444

O=C(c1nc2c(ccc3ccccc32)c(-c2ccccc2)c1O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.37
ENPP1 P22413 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 0.36
CES1 P23141 1/20 0.36
WDR5 P61964 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL14993704 0.73 ESR1 (0.47) ENPP1ESR1ESR2WDR5KDM4E
SCHEMBL30171482 0.71 KMT2A (0.47) LDHAPLA2G2DABCG2KDM4EMAPK1
SCHEMBL15004433 0.70 ESR1 (0.44) ENPP1ESR1ESR2KMT2AL3MBTL1
SCHEMBL29750738 0.70 ESR1 (0.44) ENPP1ESR1ESR2KMT2AL3MBTL1
SCHEMBL20080970 0.70 ESR1 (0.44) ENPP1ESR1ESR2KDM4EKMT2A
SCHEMBL29712349 0.70 ESR1 (0.44) ENPP1ESR1ESR2KDM4EKMT2A
SCHEMBL30548766 0.70 ESR1 (0.44) ENPP1ESR1ESR2KMT2AL3MBTL1
SCHEMBL20291573 0.69 ESR1 (0.56) ESR1ESR2KDM4EL3MBTL1
SCHEMBL29392069 0.69 ESR1 (0.56) ESR1ESR2KDM4EL3MBTL1
SCHEMBL30171486 0.68 PLA2G2D (0.41) PLA2G2DCES1WDR5HDAC6HDAC1

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