SCHEMBL1718977

SCHEMBL1718977

Cc1cc(-c2ccccc2)nc2cc(C(=O)O)nn12.NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.71
ALDH1A1 P00352 9/20 0.71
HSD17B10 Q99714 5/20 0.71
MAPK1 P28482 1/20 0.71
HPGD P15428 6/20 0.60
TP53 P04637 3/20 0.57
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 3/20 0.52
AHR P35869 1/20 0.52
MEN1 O00255 1/20 0.49
NR4A1 P22736 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.49
CTRC Q99895 1/20 0.45
PSD A5PKW4 1/20 0.45

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
SCHEMBL4731862 0.86 KDM4E (0.80) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL4738065 0.84 KDM4E (1.00) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL14014105 0.79 KDM4E (0.85) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL14014099 0.79 KDM4E (0.85) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL14014194 0.78 KDM4E (0.82) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL1718615 0.77 KDM4E (0.68) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL14013916 0.76 KDM4E (0.74) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL1718594 0.76 TP53 (0.70) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL4214025 0.76 KDM4E (1.00) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL3708441 0.76 KDM4E (0.79) KDM4EALDH1A1HSD17B10MAPK1HPGD

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