SCHEMBL1718201

SCHEMBL1718201

O=C(Nc1ccc(Br)cc1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Br

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
RXFP1 Q9HBX9 4/20 0.67
PTGES O14684 1/20 0.57
POLB P06746 1/20 0.55
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50

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
SCHEMBL1718426 0.95 MAPT (0.62) MAPTRXFP1PTGESPOLBGAA
SCHEMBL1717682 0.95 RXFP1 (0.67) MAPTRXFP1PTGESPOLBGAA
SCHEMBL1718328 0.91 MAPT (0.62) MAPTRXFP1PTGESPOLBGAA
SCHEMBL1718865 0.90 PTGES (0.69) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL1720133 0.89 RXFP1 (0.71) MAPTRXFP1PTGESPOLBMEN1
SCHEMBL1719295 0.87 RXFP1 (0.65) MAPTRXFP1PTGESPOLBGAA
SCHEMBL1719692 0.87 PTGES (0.66) MAPTRXFP1PTGESGAAL3MBTL1
SCHEMBL5658010 0.85 RXFP1 (0.59) MAPTRXFP1POLBGAAL3MBTL1
SCHEMBL1719597 0.85 MAPT (0.60) MAPTRXFP1PTGESPOLBGAA
SCHEMBL1718002 0.85 KMT2A (0.65) MAPTRXFP1POLBGAAL3MBTL1

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