SCHEMBL27595155

SCHEMBL27595155

Nc1ncc2ncn(CC3(C=CO[PH](=O)O)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ADRA1A P35348 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC6 Q9UBN7 2/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL27595154 0.91 KDM4E (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL27577003 0.84 CCNE1 (0.33) HDAC6HSP90AA1HSP90AB1
SCHEMBL2911493 0.79 HDAC6 (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2911483 0.79 HDAC6 (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL27577011 0.77 ADORA2A (0.44) ALDH1A1
SCHEMBL27577000 0.77 ADORA2A (0.44) ALDH1A1
SCHEMBL4278186 0.77 CCNE1 (0.34) ALDH1A1HDAC6HSP90AA1HSP90AB1
SCHEMBL14138147 0.72 HDAC6 (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3290197 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4270191 0.70 KDM4E (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100347185-C Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCE CO LTD (KR) 2007-11-07 CN disclosed
CN-1487949-A Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same ��ʽ����LG������ѧ 2004-04-07 CN disclosed