SCHEMBL1718460

SCHEMBL1718460

O=C(NCc1ccco1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.75
KDM4E B2RXH2 11/20 0.75
HPGD P15428 9/20 0.75
CASP1 P29466 6/20 0.75
HSD17B10 Q99714 5/20 0.75
CASP7 P55210 5/20 0.75
POLB P06746 5/20 0.75
MAPT P10636 4/20 0.75
LMNA P02545 3/20 0.75
BAP1 Q92560 1/20 0.75
TSHR P16473 3/20 0.75
USP2 O75604 1/20 0.75
ALOX15 P16050 1/20 0.75
SMN1; SMN2 Q16637 2/20 0.69
MAPK1 P28482 1/20 0.68
TTR P02766 1/20 0.63
RAB9A P51151 2/20 0.59
NPSR1 Q6W5P4 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 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
SCHEMBL1719735 0.89 HPGD (0.81) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1718955 0.88 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1718294 0.88 ALDH1A1 (0.80) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1717957 0.86 TTR (0.70) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1717790 0.86 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1718396 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1720131 0.85 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1718480 0.83 TTR (0.63) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1718361 0.82 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL1719493 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDCASP1HSD17B10

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