SCHEMBL1718352

SCHEMBL1718352

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(OC)cc4OC)c(Br)c3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
RXFP1 Q9HBX9 4/20 0.72
POLB P06746 1/20 0.65
TP53 P04637 1/20 0.52
PTGES O14684 1/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
CASP1 P29466 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CASP7 P55210 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1718470 0.88 PTGES (0.67) MAPTRXFP1POLBTP53PTGES
SCHEMBL1718823 0.87 MAPT (0.69) MAPTRXFP1POLBTP53PTGES
SCHEMBL1720004 0.84 HPGD (0.59) MAPTRXFP1POLBTP53PTGES
SCHEMBL1718496 0.82 RXFP1 (0.75) MAPTRXFP1POLBALDH1A1HPGD
SCHEMBL1719021 0.82 RXFP1 (0.60) MAPTRXFP1POLBTP53PTGES
SCHEMBL1718424 0.80 PTGES (0.64) MAPTRXFP1POLBTP53PTGES
SCHEMBL1718224 0.80 RXFP1 (0.65) MAPTRXFP1POLBTP53PTGES
SCHEMBL1719188 0.78 KMT2A (0.54) MAPTRXFP1POLBPTGESALDH1A1
SCHEMBL1717917 0.78 RXFP1 (0.72) MAPTRXFP1POLBALDH1A1HPGD
SCHEMBL1718052 0.78 ALDH1A1 (0.61) MAPTRXFP1POLBTP53PTGES

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