SCHEMBL7973871

SCHEMBL7973871

Oc1nc(-c2ccc(F)cc2)nc2ncn(CCc3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.40
ADORA2A P29274 6/20 0.40
ADORA1 P30542 6/20 0.40
HTT P42858 1/20 0.39
CNOT7 Q9UIV1 7/20 0.39
PRCP P42785 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MET P08581 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL7985603 0.93 CNOT7 (0.41) ADORA3ADORA2AADORA1CNOT7PRCP
SCHEMBL7974615 0.92 ADORA2A (0.44) ADORA3ADORA2AADORA1HTTCNOT7
SCHEMBL7974507 0.88 MET (0.46) ADORA3ADORA2ACNOT7ALDH1A1MET
SCHEMBL7984683 0.88 CNOT7 (0.37) ADORA3ADORA2AADORA1HTTCNOT7
SCHEMBL7991678 0.87 HTT (0.40) ADORA3ADORA2AADORA1HTTCNOT7
SCHEMBL7984242 0.84 CNOT7 (0.45) ADORA3ADORA2AADORA1HTTCNOT7
SCHEMBL7974276 0.84 HTT (0.39) ADORA2AHTTCNOT7ALDH1A1MAPK14
SCHEMBL7986521 0.83 CYP11B1 (0.47) ADORA3ADORA2AALDH1A1MET
SCHEMBL7984406 0.83 CASR (0.43) ADORA3ADORA2AADORA1HTTCNOT7
SCHEMBL7984490 0.82 CNOT7 (0.41) ADORA3ADORA2AADORA1CNOT7ALDH1A1

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