SCHEMBL4750650

SCHEMBL4750650

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCC(C)[O])c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
UBE2N P61088 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDR P35968 6/20 0.54
TEK Q02763 6/20 0.54
TNK2 Q07912 2/20 0.50
CHEK1 O14757 1/20 0.49
CDK1 P06493 1/20 0.49
GSK3B P49841 1/20 0.48
AURKA O14965 3/20 0.48
EGFR P00533 2/20 0.48
JAK2 O60674 1/20 0.48
LCK P06239 1/20 0.48
SRC P12931 1/20 0.48
ZAP70 P43403 1/20 0.48
JAK3 P52333 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL4535149 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749286 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4697230 0.86 KDM4E (0.67) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530280 0.86 KDM4E (0.67) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750779 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4525163 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4527280 0.86 KDM4E (0.56) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749275 0.86 KDM4E (0.56) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530804 0.85 KDM4E (0.64) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4697914 0.84 KDM4E (0.63) 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-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed