SCHEMBL1718971

SCHEMBL1718971

Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccccc3C(=O)O)nn12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.68
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.65
HSD17B10 Q99714 3/20 0.65
LMNA P02545 3/20 0.63
MAPT P10636 3/20 0.63
MAPK1 P28482 1/20 0.63
MEN1 O00255 1/20 0.60
NR4A1 P22736 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.57
GAA P10253 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL1717975 0.91 TP53 (0.83) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1718576 0.86 TP53 (0.65) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8192027 0.86 TP53 (0.65) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4737183 0.85 TP53 (0.80) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8202423 0.83 TP53 (0.77) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1718594 0.83 TP53 (0.70) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4731862 0.82 KDM4E (0.80) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1718453 0.82 HPGD (0.80) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1718608 0.80 MAPT (0.73) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8191835 0.80 TP53 (0.77) TP53KDM4EALDH1A1HPGDHSD17B10

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 1 patent. 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