SCHEMBL1718481

SCHEMBL1718481

Cc1cccc(NC(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)n1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.70
TP53 P04637 3/20 0.62
KDM4E B2RXH2 4/20 0.59
LMNA P02545 2/20 0.59
THRB P10828 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56

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 0.84 MAPT (0.80) MAPTTP53KDM4ELMNATHRB
SCHEMBL1718055 0.84 MAPT (0.76) MAPTTP53KDM4ELMNATHRB
SCHEMBL1718469 0.84 MAPT (0.68) MAPTTP53KDM4ELMNATHRB
SCHEMBL1718388 0.84 THRB (0.73) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1718821 0.83 MAPT (0.84) MAPTTP53KDM4ELMNATHRB
SCHEMBL1718665 0.83 MAPT (0.75) MAPTTP53KDM4ELMNATHRB
SCHEMBL1718784 0.83 MAPT (0.80) MAPTTP53KDM4ELMNATHRB
SCHEMBL1719663 0.83 MAPT (0.75) MAPTTP53KDM4ELMNATHRB
SCHEMBL1719243 0.82 MAPT (0.83) MAPTTP53KDM4ELMNATHRB
SCHEMBL1718438 0.82 MAPT (0.74) MAPTTP53KDM4ELMNATHRB

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