SCHEMBL1718772

SCHEMBL1718772

O=C(Nc1cc(Cl)ccc1O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.55
THRB P10828 3/20 0.54
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PTGES O14684 1/20 0.48
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNMA1 Q12791 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
SCHEMBL1719731 0.91 RXFP1 (0.61) MAPTUSP2MAPK1THRBRXFP1
SCHEMBL1718367 0.91 MAPT (0.63) MAPTUSP2MAPK1THRBRXFP1
SCHEMBL1718229 0.90 MAPT (0.64) MAPTUSP2MAPK1THRBRXFP1
SCHEMBL1719273 0.88 MAPT (0.62) MAPTUSP2MAPK1THRBRXFP1
SCHEMBL1718612 0.87 MAPT (0.64) MAPTUSP2MAPK1THRBRXFP1
SCHEMBL1718513 0.87 MAPT (0.64) MAPTUSP2MAPK1THRBRXFP1
SCHEMBL1719256 0.86 KMT2A (0.58) MAPTTHRBRXFP1ALDH1A1HPGD
SCHEMBL1719133 0.86 MAPT (0.63) MAPTUSP2MAPK1THRBRXFP1
SCHEMBL1719847 0.86 MAPT (0.66) MAPTUSP2MAPK1THRBRXFP1
SCHEMBL1718483 0.85 MAPT (0.62) MAPTUSP2MAPK1THRBRXFP1

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