SCHEMBL14467289

SCHEMBL14467289

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC4C[C@@H](O)C[C@@H](O)C4)c23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
UBE2N P61088 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TEK Q02763 7/20 0.53
KDR P35968 5/20 0.53
TNK2 Q07912 3/20 0.51
AURKA O14965 2/20 0.48
CHEK1 O14757 1/20 0.48
CDK1 P06493 1/20 0.48
GSK3B P49841 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MERTK Q12866 1/20 0.44
HIF1A Q16665 2/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44

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
SCHEMBL12607051 1.00 KDM4E (0.60) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4748283 0.93 KDM4E (0.59) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4751375 0.92 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607050 0.92 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607049 0.92 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607169 0.90 KDM4E (0.51) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607136 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4695250 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607283 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607282 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; 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
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed