SCHEMBL7750975

SCHEMBL7750975

CC(C)C1OCC(Cn2cnc3cnc(N)nc32)CO1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ADRA1A P35348 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
IRAK4 Q9NWZ3 3/20 0.34

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
SCHEMBL4961034 0.79 HDAC6 (0.45) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7745011 0.79 HSP90AB1 (0.47) HSP90AA1HSP90AB1HDAC6
SCHEMBL7750736 0.75 ADORA2A (0.52) ALDH1A1
SCHEMBL7749604 0.73 HPRT1 (0.50) ALDH1A1HSD17B10
SCHEMBL23710675 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL14642669 0.70 CDK1 (0.56) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4064570 0.70 MERTK (0.39) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4064578 0.70 MERTK (0.39) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL1883249 0.70 KDM4E (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6950568 0.70 ALDH1A1 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed