SCHEMBL1718328

SCHEMBL1718328

O=C(Nc1ccc(Cl)c(Cl)c1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Br

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
RXFP1 Q9HBX9 4/20 0.62
PTGES O14684 1/20 0.56
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
TTR P02766 1/20 0.45

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
SCHEMBL1719793 0.93 RXFP1 (0.63) MAPTRXFP1PTGESPOLBMEN1
SCHEMBL1717929 0.93 PTGES (0.64) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL1718201 0.91 MAPT (0.67) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL1718426 0.91 MAPT (0.62) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL1717682 0.87 RXFP1 (0.67) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL1719289 0.86 KMT2A (0.57) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL1718865 0.85 PTGES (0.69) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL1719938 0.85 RXFP1 (0.61) MAPTRXFP1PTGESPOLBMEN1
SCHEMBL1718119 0.84 THRB (0.59) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL1719075 0.84 RXFP1 (0.59) MAPTRXFP1PTGESGAAL3MBTL1

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