SCHEMBL4737182

SCHEMBL4737182

Cc1cc(-c2ccccc2)nc2cc(C(=O)NC3CCCCC3)nn12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.78
HTT P42858 3/20 0.78
ALDH1A1 P00352 8/20 0.64
HPGD P15428 6/20 0.64
HSD17B10 Q99714 5/20 0.64
MAPK1 P28482 2/20 0.61
TP53 P04637 3/20 0.59
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.54
NR4A1 P22736 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
S1PR1 P21453 1/20 0.50
CNR1 P21554 1/20 0.49

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
SCHEMBL4201226 0.89 KDM4E (0.98) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL1718809 0.88 KDM4E (1.00) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL25430390 0.86 KDM4E (0.96) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL4211253 0.85 KDM4E (0.66) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL1718813 0.85 KDM4E (0.74) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL4204723 0.85 KDM4E (0.66) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL4215699 0.84 KDM4E (0.77) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL14366824 0.83 KDM4E (0.76) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL25969729 0.81 KDM4E (0.66) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL29152859 0.81 KDM4E (0.69) KDM4EHTTALDH1A1HPGDHSD17B10

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