SCHEMBL7984414

SCHEMBL7984414

Cc1cc(-c2nc(=O)c3c(ncn3Cc3ccccc3)[nH]2)cc(C)c1OCCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
BRD4 O60885 1/20 0.40
IL17A Q16552 1/20 0.40
ACHE P22303 2/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
P2RY12 Q9H244 1/20 0.39
P2RX7 Q99572 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
PARN O95453 1/20 0.38
CNOT7 Q9UIV1 1/20 0.38
LTA4H P09960 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL7991500 0.86 ADORA2A (0.51) KMT2AADORA2AADORA1ACHEADORA3
SCHEMBL7985633 0.86 ADORA2A (0.54) KMT2AADORA2AADORA1ACHEADORA3
SCHEMBL7984970 0.82 PARN (0.43) P2RX7PARNCNOT7
SCHEMBL7984891 0.78 CNOT7 (0.50) BRD4P2RX7ADORA2BPARNCNOT7
SCHEMBL7985328 0.78 CNOT7 (0.51) KMT2ABRD4P2RX7ADORA2BPARN
SCHEMBL30054386 0.76 BRD4 (0.54) KMT2AMEN1ADORA2AADORA1BRD4
SCHEMBL348983 0.76 BRD4 (0.54) KMT2AMEN1ADORA2AADORA1BRD4
SCHEMBL7985287 0.75 CNOT7 (0.40) KMT2AMEN1ADORA2ABRD4ADORA3
SCHEMBL7975271 0.75 CNOT7 (0.56) KMT2ABRD4ADORA3ADORA2BPARN
SCHEMBL7985350 0.75 GAA (0.48) P2RX7PARNCNOT7

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