SCHEMBL8192027

SCHEMBL8192027

CCc1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.65
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 6/20 0.64
HSD17B10 Q99714 4/20 0.64
HPGD P15428 4/20 0.64
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
MAPK1 P28482 1/20 0.61
POLB P06746 3/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 1/20 0.59
NR4A1 P22736 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL1718971 0.86 TP53 (0.68) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1718576 0.85 TP53 (0.65) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4737183 0.84 TP53 (0.80) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1717975 0.83 TP53 (0.83) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1718594 0.82 TP53 (0.70) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8202423 0.81 TP53 (0.77) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1718698 0.79 KDM4E (0.77) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4731862 0.79 KDM4E (0.80) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1718608 0.79 MAPT (0.73) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1718453 0.79 HPGD (0.80) TP53KDM4EALDH1A1HSD17B10HPGD

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
WO-2008056176-A1 PYRAZOLOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS SCOTTISH BIOMEDICAL LIMITED (GB) 2008-05-15 WO disclosed