SCHEMBL1718665

SCHEMBL1718665

O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.75
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
GAA P10253 1/20 0.67
CASP1 P29466 1/20 0.67
RAB9A P51151 1/20 0.67
THRB P10828 3/20 0.64
TP53 P04637 3/20 0.62
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL1718125 0.96 MAPT (0.80) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1719908 0.91 MAPT (0.68) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1718752 0.90 MAPT (0.75) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1718832 0.89 MAPT (0.71) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1719243 0.89 MAPT (0.83) MAPTKDM4EHSD17B10CASP1RAB9A
SCHEMBL1718610 0.89 MAPT (0.70) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1718957 0.89 MAPT (0.65) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1717693 0.89 MAPT (0.73) MAPTKDM4EALDH1A1HSD17B10CASP1
SCHEMBL1719654 0.88 MAPT (0.65) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1718438 0.87 MAPT (0.74) MAPTKDM4EALDH1A1HPGDTHRB

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