SCHEMBL1718698

SCHEMBL1718698

Cc1cc(-c2ccccc2)nc2cc(C(=O)NCc3ccccc3)nn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.77
ALDH1A1 P00352 9/20 0.77
HPGD P15428 6/20 0.77
HSD17B10 Q99714 5/20 0.77
POLB P06746 1/20 0.74
RAB9A P51151 1/20 0.74
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
GAA P10253 1/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
MAPK1 P28482 1/20 0.65
TP53 P04637 4/20 0.62
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
NR4A1 P22736 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CACNA1G O43497 1/20 0.52
CACNA1H O95180 1/20 0.52

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
SCHEMBL1718615 0.93 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1718952 0.91 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1718891 0.88 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1718968 0.85 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1718833 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4737183 0.82 TP53 (0.80) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4731862 0.81 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4204723 0.81 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4214025 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4738065 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10POLB

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