SCHEMBL1718548

SCHEMBL1718548

O=C(Nc1cccc(O)c1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
USP2 O75604 1/20 0.58
THRB P10828 1/20 0.57
MAPK1 P28482 1/20 0.56
RXFP1 Q9HBX9 2/20 0.54
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTGES O14684 1/20 0.53
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1718483 0.91 MAPT (0.62) MAPTUSP2THRBMAPK1RXFP1
SCHEMBL1718523 0.91 THRB (0.68) MAPTUSP2THRBMAPK1RXFP1
SCHEMBL1718994 0.88 MAPT (0.65) MAPTUSP2THRBMAPK1RXFP1
SCHEMBL1718612 0.87 MAPT (0.64) MAPTUSP2THRBMAPK1RXFP1
SCHEMBL1719437 0.86 MAPT (0.65) MAPTUSP2THRBMAPK1RXFP1
SCHEMBL1718776 0.86 MAPT (0.63) MAPTUSP2THRBMAPK1RXFP1
SCHEMBL1719548 0.86 PTGES (0.64) MAPTUSP2THRBMAPK1RXFP1
SCHEMBL1719072 0.85 KMT2A (0.59) MAPTRXFP1HPGDGAASMN1; SMN2
SCHEMBL1718508 0.85 KDM4E (0.69) MAPTUSP2HPGDGAAALDH1A1
SCHEMBL14291617 0.85 PTGES (0.68) MAPTUSP2THRBMAPK1RXFP1

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