SCHEMBL2914353

SCHEMBL2914353

[CH2]OC1(Cn2cnc3cnc(N)nc32)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ADRA1A P35348 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HDAC6 Q9UBN7 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL2914357 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4275814 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3288053 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2942557 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6361387 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2906656 0.73 ADORA2A (0.55) ALDH1A1HPGD
SCHEMBL14138147 0.73 HDAC6 (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2942561 0.72 HSP90AA1 (0.45) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL14010824 0.72 KDM4E (0.55) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4268756 0.72 FAP (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10

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-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed