SCHEMBL7985633

SCHEMBL7985633

O=c1nc(-c2cccc(OCCN3CCOCC3)c2)[nH]c2ncn(Cc3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.54
ADORA1 P30542 4/20 0.54
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK9 P45984 2/20 0.43
MAPKAPK2 P49137 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
MET P08581 1/20 0.43
MCHR1 Q99705 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
LTA4H P09960 2/20 0.42
ACHE P22303 1/20 0.42
GLS O94925 1/20 0.41

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 0.91 ADORA2A (0.51) ADORA2AADORA1KMT2ANPC1RAB9A
SCHEMBL7984414 0.86 KMT2A (0.44) ADORA2AADORA1KMT2AADORA3ADORA2B
SCHEMBL7985399 0.83 PARN (0.43) ADORA2AADORA1KMT2A
SCHEMBL7974409 0.82 PARN (0.45) ADORA2AADORA1KDM4ETP53TSHR
SCHEMBL7984460 0.82 PARN (0.41) ADORA2AADORA1TSHRKMT2A
SCHEMBL7974586 0.81 GAA (0.52) TP53
SCHEMBL7987255 0.78 PARN (0.48) ADORA1
SCHEMBL7975271 0.78 CNOT7 (0.56) KMT2AADORA3ADORA2B
SCHEMBL7984663 0.77 CNOT7 (0.49) ADORA2AKDM4ETP53KMT2ANPC1
SCHEMBL7974015 0.77 PARN (0.49)

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