SCHEMBL30171448

SCHEMBL30171448

O=C(c1c(O)c2ccc3c4ccccc4sc3c2n(-c2cccc(-c3ccccc3)c2)c1=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
RXFP1 Q9HBX9 3/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 6/20 0.35
HDAC6 Q9UBN7 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ALOX5 P09917 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
PDE10A Q9Y233 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL24865255 1.00 MAPT (0.36) MAPTRXFP1MEN1GAAKMT2A
SCHEMBL24864800 0.91 TP53 (0.35) MAPTRXFP1MEN1KMT2ATP53
SCHEMBL24864715 0.91 RECQL (0.37) MAPTRXFP1MEN1KMT2ATP53
SCHEMBL24864714 0.84 PARP14 (0.34) MAPTRXFP1TP53HDAC6TNKS
SCHEMBL24864828 0.83 EGLN1 (0.33) MAPTRXFP1TP53EGLN1
SCHEMBL24864827 0.81 EGLN1 (0.31) EGLN1
SCHEMBL24864826 0.80 TP53 (0.33) MAPTRXFP1TP53
SCHEMBL24864719 0.79 ALDH1A1 (0.40) MAPTRXFP1MEN1KMT2ATP53
SCHEMBL24864991 0.78 RECQL (0.36) MAPTRXFP1MEN1GAAKMT2A
SCHEMBL30171422 0.78 RECQL (0.36) MAPTRXFP1MEN1GAAKMT2A

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