SCHEMBL30171491

SCHEMBL30171491

O=C(n1c(=O)ccc2ccc3ccccc3c21)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
FDPS P14324 1/20 0.37
KDM4E B2RXH2 4/20 0.35
KCNJ11 Q14654 3/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ8 Q15842 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
DHFR P00374 1/20 0.35
TYMS P04818 1/20 0.35
PAX8 Q06710 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
SCHEMBL4773761 0.69 POLB (0.55) KDM4EMEN1ALDH1A1KMT2AHSD17B10
Phenanthrene SCHEMBL1839925 0.68 HSD17B10 (0.55) TDP1KDM4EKCNJ11ALDH1A1HSD17B10
SCHEMBL26555552 0.67 BRPF1 (0.57) TDP1KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL30171463 0.67 TRPV1 (0.44) KDM4EKCNJ11MAPTCNR2ATM
SCHEMBL7789910 0.64 ESR1 (0.43) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL17797526 0.63 CES1 (0.40) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL24864709 0.62 ALDH1A1 (0.44) TDP1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL10662835 0.61 CA12 (0.53) KDM4EALDH1A1KMT2AMAPTTSHR
SCHEMBL9697347 0.61 FDPS (0.45) TDP1FDPSKDM4EALDH1A1HSD17B10
SCHEMBL1827963 0.60 PLA2G2D (0.63) TDP1KDM4EMEN1ALDH1A1KMT2A

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