SCHEMBL1719243

SCHEMBL1719243

O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.83
THRB P10828 3/20 0.70
TP53 P04637 3/20 0.59
LMNA P02545 2/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 2/20 0.57
CASP1 P29466 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL1718384 0.91 THRB (0.71) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL1718821 0.91 MAPT (0.84) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1718736 0.91 THRB (0.83) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL1718665 0.89 MAPT (0.75) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1718125 0.89 MAPT (0.80) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1718784 0.89 MAPT (0.80) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1718752 0.88 MAPT (0.75) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1718055 0.87 MAPT (0.76) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1717693 0.86 MAPT (0.73) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1719733 0.86 MAPT (0.75) MAPTTHRBTP53LMNAKDM4E

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 1 patent. 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 disclosed