SCHEMBL4697230

SCHEMBL4697230

CCCOc1ncnc2oc(-c3ccccc3)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.67
UBE2N P61088 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TEK Q02763 7/20 0.59
KDR P35968 6/20 0.59
TNK2 Q07912 3/20 0.54
CHEK1 O14757 1/20 0.53
CDK1 P06493 1/20 0.53
GSK3B P49841 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HIF1A Q16665 2/20 0.50
POLB P06746 1/20 0.50
RAD52 P43351 1/20 0.50
PPARG P37231 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50

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
SCHEMBL4697914 0.93 KDM4E (0.63) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530280 0.91 KDM4E (0.67) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530804 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4788792 0.88 KDM4E (0.58) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4535149 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749286 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4750650 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6748469 0.85 KDM4E (0.64) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4527275 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4535869 0.85 KDM4E (0.59) 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 3 patents. 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
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed