SCHEMBL7988928

SCHEMBL7988928

COc1cccc(Cn2cnc3nc(CN(C)C(=O)OC(C)(C)C)nc(O)c32)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
YTHDC1 Q96MU7 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
ROCK2 O75116 6/20 0.37
ROCK1 Q13464 5/20 0.37
MCL1 Q07820 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 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
SCHEMBL7988121 0.89 SMN1; SMN2 (0.41) GAAHTR2CSLC6A4YTHDC1MCL1
SCHEMBL7985457 0.88 HTR2C (0.46) GAAHTR2CSLC6A4HPGDMCL1
SCHEMBL7988933 0.84 GAA (0.44) GAATP53RXFP1HTR2CSLC6A4
SCHEMBL7987944 0.83 HTR2C (0.38) TP53HTR2CSLC6A4HPGDMCL1
SCHEMBL7974300 0.83 HTR2C (0.37) HTR2CSLC6A4HPGDMCL1
SCHEMBL7992285 0.83 ABCC8 (0.41) PTGER2HTR2CSLC6A4HPGDMCL1
SCHEMBL7975222 0.81 MCL1 (0.39) TP53HTR2CSLC6A4POLBMCL1
SCHEMBL7984512 0.81 GAA (0.50) GAATP53RXFP1PTGER4PTGER2
SCHEMBL7991605 0.81 HTR2C (0.41) HTR2CSLC6A4MCL1
SCHEMBL7984135 0.80 GAA (0.49) GAATP53RXFP1PTGER4PTGER2

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed