SCHEMBL1719059

SCHEMBL1719059

O=C(Nc1ccc2c(c1)OCO2)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.80
POLB P06746 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
THRB P10828 4/20 0.69
RXFP1 Q9HBX9 1/20 0.69
RAB9A P51151 3/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
TTR P02766 1/20 0.63
ALDH1A1 P00352 4/20 0.61
CASP1 P29466 2/20 0.61
HSD17B10 Q99714 2/20 0.61
HPGD P15428 2/20 0.61
CASP7 P55210 1/20 0.61
BAP1 Q92560 1/20 0.61
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 3/20 0.53

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
SCHEMBL1719196 0.90 MAPT (0.80) MAPTPOLBL3MBTL1THRBRXFP1
SCHEMBL1718398 0.90 MAPT (0.75) MAPTPOLBL3MBTL1THRBRXFP1
SCHEMBL1718868 0.87 MAPT (0.77) MAPTPOLBL3MBTL1THRBRXFP1
SCHEMBL1718360 0.87 MAPT (0.73) MAPTPOLBL3MBTL1THRBRXFP1
SCHEMBL1719480 0.86 MAPT (0.75) MAPTPOLBL3MBTL1THRBRXFP1
SCHEMBL1719450 0.85 MAPT (0.77) MAPTPOLBL3MBTL1THRBRXFP1
SCHEMBL1719394 0.85 MAPT (0.78) MAPTPOLBL3MBTL1THRBRXFP1
SCHEMBL1718850 0.84 TTR (0.76) MAPTTHRBRXFP1RAB9ATTR
SCHEMBL1718673 0.83 KDM4E (0.66) MAPTTHRBRAB9ATTRALDH1A1
SCHEMBL1718590 0.82 MAPT (0.70) MAPTPOLBL3MBTL1THRBRXFP1

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