SCHEMBL1719735

SCHEMBL1719735

O=C(NCc1ccco1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.81
ALDH1A1 P00352 11/20 0.81
KDM4E B2RXH2 10/20 0.81
CASP1 P29466 5/20 0.81
CASP7 P55210 5/20 0.81
HSD17B10 Q99714 5/20 0.81
TSHR P16473 4/20 0.81
USP2 O75604 2/20 0.81
ALOX15 P16050 1/20 0.81
POLB P06746 6/20 0.76
MAPT P10636 3/20 0.76
LMNA P02545 3/20 0.76
BAP1 Q92560 1/20 0.76
SMN1; SMN2 Q16637 2/20 0.72
MAPK1 P28482 2/20 0.71
RAB9A P51151 3/20 0.64
TP53 P04637 2/20 0.61
NPSR1 Q6W5P4 3/20 0.58
NPC1 O15118 1/20 0.56
L3MBTL1 Q9Y468 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
SCHEMBL1718955 0.93 ALDH1A1 (0.81) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1718294 0.92 ALDH1A1 (0.80) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1718396 0.90 ALDH1A1 (1.00) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1720131 0.89 ALDH1A1 (0.75) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1718460 0.89 ALDH1A1 (0.75) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1717790 0.86 ALDH1A1 (1.00) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1719493 0.84 ALDH1A1 (1.00) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1718371 0.83 HPGD (0.71) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1718359 0.81 ALDH1A1 (0.63) HPGDALDH1A1KDM4ECASP1CASP7
SCHEMBL1719277 0.81 ALDH1A1 (0.82) HPGDALDH1A1KDM4ECASP1CASP7

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