SCHEMBL4413498

SCHEMBL4413498

CCOC(=O)c1oc2c(c1N)CCCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
MAPT P10636 6/20 0.52
MAPK1 P28482 3/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 8/20 0.51
HPGD P15428 5/20 0.51
GAA P10253 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
AHR P35869 1/20 0.47
ACHE P22303 4/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4125207 0.98 KDM4E (0.53) KDM4EMAPTMAPK1HTTALDH1A1
SCHEMBL4411095 0.95 KDM4E (0.55) KDM4EMAPTMAPK1HTTALDH1A1
SCHEMBL12057603 0.75 MAPT (0.36) KDM4EMAPTMAPK1HTTALDH1A1
SCHEMBL28116388 0.69 SMN1; SMN2 (0.73) MAPTALDH1A1HPGDCYP1A2NPC1
SCHEMBL24256901 0.68 KDM4E (0.77) KDM4EMAPTMAPK1HTTALDH1A1
SCHEMBL13151524 0.68 MAPT (0.64) KDM4EMAPTHTTALDH1A1HPGD
SCHEMBL5548523 0.67 KDM4E (0.50) KDM4EMAPTMAPK1ALDH1A1HPGD
SCHEMBL14079850 0.67 ALDH1A1 (0.46) KDM4EMAPTMAPK1ALDH1A1HPGD
SCHEMBL2289470 0.67 ALDH1A1 (0.45) KDM4EMAPTMAPK1ALDH1A1HPGD
SCHEMBL2803645 0.67 ALDH1A1 (0.65) KDM4EMAPTMAPK1HTTALDH1A1

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-2009056551-A1 FURO[3,2-D]PYRIMIDINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2009-05-07 WO disclosed