SCHEMBL30171473

SCHEMBL30171473

O=C(c1cc2ccccc2n(-c2ccccc2)c1=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
PLA2G10 O15496 3/20 0.43
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MET P08581 1/20 0.41
NOTUM Q6P988 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
CES1 P23141 1/20 0.39
KMT2A Q03164 2/20 0.38
IDO1 P14902 1/20 0.37
GAA P10253 2/20 0.37
AHR P35869 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
RECQL P46063 1/20 0.36
CRHR2 Q13324 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL27212351 1.00 ALDH1A1 (0.51) ALDH1A1TSHRPLA2G10HTTKDM4E
SCHEMBL27642609 0.80 KCNH2 (0.48) ALDH1A1TSHRPLA2G10KDM4ENOTUM
SCHEMBL29091375 0.77 ALDH1A1 (0.51) ALDH1A1TSHRPLA2G10KDM4EMET
SCHEMBL30548972 0.77 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EMETKMT2A
SCHEMBL10974097 0.74 KDM4E (0.52) ALDH1A1TSHRHTTKDM4EMET
SCHEMBL24054530 0.73 MAOB (0.53) ALDH1A1TSHRKDM4EKMT2AGAA
SCHEMBL27642612 0.71 ALDH1A1 (0.45) ALDH1A1TSHRPLA2G10KDM4E
SCHEMBL5445143 0.71 PLA2G10 (0.56) PLA2G10METNOTUM
SCHEMBL24864728 0.70 RECQL (0.60) ALDH1A1TSHRHTTKDM4EKMT2A
SCHEMBL30804596 0.70 RECQL (0.60) ALDH1A1TSHRHTTKDM4EKMT2A

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