SCHEMBL21452068

SCHEMBL21452068

COc1ccc(-c2cc(C(F)(F)PC)n3nc(-c4ccc(Br)s4)cc3n2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FUBP1 Q96AE4 6/20 0.82
MAPT P10636 8/20 0.57
TP53 P04637 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21436605 0.90 FUBP1 (1.00) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL30417906 0.90 FUBP1 (1.00) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL30417399 0.79 FUBP1 (1.00) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL21436681 0.79 FUBP1 (1.00) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL17066235 0.75 MAPT (0.75) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL21436636 0.75 FUBP1 (1.00) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL21945408 0.71 FUBP1 (0.79) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL17066234 0.71 FUBP1 (0.79) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL17066463 0.70 MAPT (0.77) FUBP1MAPTTP53TDP1MAPK1
SCHEMBL12497070 0.70 FUBP1 (0.54) FUBP1MAPTMAPK1CASP1KDM4E

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-2019193165-A1 USE OF FUBP1 INHIBITORS FOR TREATING HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2019-10-10 WO disclosed