SCHEMBL7974615

SCHEMBL7974615

Oc1nc(-c2ccccc2)nc2ncn(CCc3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA1 P30542 3/20 0.44
HTT P42858 1/20 0.43
CNOT7 Q9UIV1 11/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.38
PARN O95453 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
SCHEMBL7991678 0.93 HTT (0.40) ADORA2AADORA3ADORA1HTTCNOT7
SCHEMBL7984242 0.92 CNOT7 (0.45) ADORA2AADORA3ADORA1HTTCNOT7
SCHEMBL7973871 0.92 ADORA3 (0.40) ADORA2AADORA3ADORA1HTTCNOT7
SCHEMBL7984406 0.91 CASR (0.43) ADORA2AADORA3ADORA1HTTCNOT7
SCHEMBL7986327 0.90 NPC1 (0.43) HTTCNOT7ALDH1A1
SCHEMBL7984683 0.89 CNOT7 (0.37) ADORA2AADORA3ADORA1HTTCNOT7
SCHEMBL7988551 0.89 ADORA3 (0.43) ADORA2AADORA3ADORA1HTTCNOT7
SCHEMBL7988583 0.89 ALDH1A1 (0.41) ADORA2AADORA3ADORA1HTTCNOT7
SCHEMBL7975267 0.86 SMN1; SMN2 (0.46) ADORA2AADORA3ADORA1CNOT7ALDH1A1
SCHEMBL7989009 0.86 GAA (0.47) ADORA2AADORA3ADORA1ALDH1A1

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