SCHEMBL1720199

SCHEMBL1720199

O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.77
TP53 P04637 5/20 0.73
TTR P02766 1/20 0.66
KDM4E B2RXH2 3/20 0.66
HSD17B10 Q99714 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 7/20 0.64
HPGD P15428 1/20 0.63
POLB P06746 1/20 0.60
CASP1 P29466 1/20 0.59
RAB9A P51151 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
SCHEMBL1718326 0.92 THRB (0.74) THRBTP53TTRKDM4EHSD17B10
SCHEMBL1718673 0.91 KDM4E (0.66) THRBTP53TTRKDM4EHSD17B10
SCHEMBL1718752 0.90 MAPT (0.75) THRBTP53TTRKDM4EHSD17B10
SCHEMBL1718850 0.90 TTR (0.76) THRBTP53TTRKDM4EHSD17B10
SCHEMBL1718816 0.90 THRB (0.86) THRBTP53KDM4EHSD17B10SMN1; SMN2
SCHEMBL1718736 0.88 THRB (0.83) THRBTP53KDM4EHSD17B10SMN1; SMN2
SCHEMBL1719994 0.88 MAPT (0.76) THRBTP53TTRKDM4EHSD17B10
SCHEMBL1718177 0.87 THRB (0.75) THRBTP53KDM4EHSD17B10SMN1; SMN2
SCHEMBL1718409 0.85 KDM4E (0.71) THRBTP53TTRKDM4EHSD17B10
SCHEMBL1718245 0.85 KDM4E (0.83) TP53KDM4EHSD17B10ALDH1A1MAPT

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