SCHEMBL1718784

SCHEMBL1718784

CC(=O)c1cccc(NC(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
THRB P10828 3/20 0.68
TP53 P04637 6/20 0.59
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 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
SCHEMBL1718832 0.91 MAPT (0.71) MAPTTHRBTP53LMNASMN1; SMN2
SCHEMBL1718821 0.90 MAPT (0.84) MAPTTHRBTP53LMNASMN1; SMN2
SCHEMBL1719243 0.89 MAPT (0.83) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1718125 0.88 MAPT (0.80) MAPTTHRBTP53LMNASMN1; SMN2
SCHEMBL1718438 0.85 MAPT (0.74) MAPTTHRBTP53LMNASMN1; SMN2
SCHEMBL1719733 0.84 MAPT (0.75) MAPTTHRBTP53LMNASMN1; SMN2
SCHEMBL1718752 0.84 MAPT (0.75) MAPTTHRBTP53LMNAKDM4E
SCHEMBL1718665 0.84 MAPT (0.75) MAPTTHRBTP53LMNASMN1; SMN2
SCHEMBL1718055 0.83 MAPT (0.76) MAPTTHRBTP53LMNASMN1; SMN2
SCHEMBL1718481 0.83 MAPT (0.70) MAPTTHRBTP53LMNASMN1; SMN2

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