SCHEMBL7985605

SCHEMBL7985605

O=c1nc(-c2ccc(F)cc2)[nH]c2ncn(CCCc3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 5/20 0.54
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.44
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
PARN O95453 1/20 0.38
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G7 Q13093 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
SCHEMBL7973875 0.94 CNOT7 (0.53) CNOT7MAPK1KDM4ELMNAPOLB
SCHEMBL7984244 0.92 CNOT7 (0.60) CNOT7MAPK1KDM4ELMNAPOLB
SCHEMBL7984493 0.89 CNOT7 (0.54) CNOT7MAPK1KDM4ELMNAPOLB
SCHEMBL7974293 0.89 CNOT7 (0.52) CNOT7MAPK1KDM4ELMNAPOLB
SCHEMBL7991656 0.88 CNOT7 (0.55) CNOT7MAPK1KDM4ELMNAPOLB
SCHEMBL7974508 0.87 CNOT7 (0.51) CNOT7KDM4ELMNATNKSTNKS2
SCHEMBL7974620 0.85 CNOT7 (0.58) CNOT7MAPK1KDM4ELMNAPOLB
SCHEMBL7984469 0.85 CNOT7 (0.54) CNOT7MAPK1KDM4ELMNAPOLB
SCHEMBL7974048 0.83 CNOT7 (0.53) CNOT7MAPK1KDM4ELMNAPOLB
SCHEMBL7985608 0.83 LMNA (0.53) CNOT7MAPK1KDM4ELMNAPOLB

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