SCHEMBL1719480

SCHEMBL1719480

O=C(Nc1cccc(C(F)(F)F)c1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.75
THRB P10828 3/20 0.73
RXFP1 Q9HBX9 1/20 0.71
POLB P06746 4/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
HPGD P15428 2/20 0.65
CASP1 P29466 2/20 0.65
HSD17B10 Q99714 2/20 0.65
CASP7 P55210 1/20 0.65
BAP1 Q92560 1/20 0.65
RAB9A P51151 3/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
TP53 P04637 3/20 0.57
KDM4E B2RXH2 3/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL1718868 0.92 MAPT (0.77) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719394 0.92 MAPT (0.78) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719196 0.88 MAPT (0.80) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719059 0.86 MAPT (0.80) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1718398 0.86 MAPT (0.75) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719450 0.85 MAPT (0.77) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1718510 0.85 THRB (0.85) MAPTTHRBPOLBALDH1A1HPGD
SCHEMBL1718976 0.84 THRB (0.77) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1719283 0.84 THRB (0.73) MAPTTHRBRXFP1POLBL3MBTL1
SCHEMBL1718821 0.84 MAPT (0.84) MAPTTHRBRXFP1POLBALDH1A1

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
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed