SCHEMBL2464483

SCHEMBL2464483

CCN(C(=O)c1cnn2c(O)cc(-c3ccccc3)nc12)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.45
TSHR P16473 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.41
F2 P00734 1/20 0.41
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL2459625 0.89 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2464158 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2459298 0.79 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4764705 0.77 LMNA (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2459037 0.75 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2461421 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2463270 0.73 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2459588 0.73 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2462478 0.73 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2466786 0.72 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP claimed