SCHEMBL3688477

SCHEMBL3688477

O=c1nc[nH]c2c1ncn2-n1cnc2c(O)ncnc21

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HPRT1 P00492 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
SCHEMBL11439072 0.83 FDPS (0.36)
SCHEMBL8820865 0.83 ADORA2A (0.46)
SCHEMBL7037922 0.82 ALDH1A1 (0.36) KDM4EALDH1A1TDP1HPRT1
SCHEMBL28147771 0.80 ALDH1A1 (0.35) KDM4EALDH1A1TDP1HPRT1
SCHEMBL7987866 0.78 ADORA2A (0.35)
SCHEMBL4456036 0.77 FDPS (0.34) ALDH1A1
SCHEMBL7197886 0.71 CDK1 (0.41)
SCHEMBL38407 0.70 XDH (0.47) ALDH1A1HPRT1
SCHEMBL160199 0.70 GDA (0.37) ALDH1A1
Inosine SCHEMBL15348254 0.69 SLC29A1 (0.57) ALDH1A1

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
US-7820769-B2 Polymer for use in conduits, medical devices and biomedical surface modification UCL BIOMEDICA PLC (GB) 2010-10-26 US disclosed
US-20080233164-A1 Polymer for Use in Conduits, Medical Devices and Biomedical Surface Modification UCL BIOMEDICAL PLC (GB) 2008-09-25 US disclosed