SCHEMBL1718145

SCHEMBL1718145

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4)cc3n2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
TSHR P16473 1/20 0.75
MAPK1 P28482 1/20 0.75
CASP1 P29466 1/20 0.75
THRB P10828 3/20 0.74
RXFP1 Q9HBX9 1/20 0.74
KDM4E B2RXH2 4/20 0.72
HPGD P15428 3/20 0.72
ALDH1A1 P00352 3/20 0.72
HSD17B10 Q99714 1/20 0.72
TP53 P04637 3/20 0.68
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
POLB P06746 1/20 0.67
LMNA P02545 1/20 0.62
CFTR P13569 1/20 0.62

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
SCHEMBL823135 0.93 MAPT (0.78) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL1720237 0.92 MAPT (0.80) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL1719651 0.90 MAPT (0.74) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL1718901 0.90 MAPT (0.75) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL17297256 0.89 THRB (0.69) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL1719213 0.88 THRB (0.73) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL823134 0.88 THRB (0.68) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL1718425 0.88 MAPT (0.84) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL1717548 0.86 MAPT (0.76) MAPTSMN1; SMN2TSHRMAPK1CASP1
SCHEMBL17066247 0.86 MAPT (1.00) MAPTSMN1; SMN2TSHRMAPK1CASP1

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