SCHEMBL7991500

SCHEMBL7991500

O=c1nc(-c2ccc(OCCN3CCOCC3)cc2)[nH]c2ncn(Cc3ccccc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2B P29275 1/20 0.51
ACHE P22303 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LTA4H P09960 2/20 0.49
TBK1 Q9UHD2 4/20 0.48
IKBKE Q14164 1/20 0.48
ABL1 P00519 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
LYN P07948 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46

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
SCHEMBL7985633 0.91 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2BACHE
SCHEMBL7984414 0.86 KMT2A (0.44) ADORA2AADORA1ADORA3ADORA2BACHE
SCHEMBL7987774 0.83 CNOT7 (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7974480 0.81 GUSB (0.50) ADORA2BNPC1RAB9AKMT2A
SCHEMBL7985228 0.80 CXCR2 (0.50) NPC1RAB9AKMT2A
SCHEMBL7975271 0.80 CNOT7 (0.56) ADORA3ADORA2BKMT2A
SCHEMBL7975135 0.78 CNOT7 (0.52) ADORA2AADORA2BNPC1RAB9AKMT2A
SCHEMBL7984461 0.78 CNOT7 (0.52) ADORA2BKMT2A
SCHEMBL7974508 0.77 CNOT7 (0.51) ADORA2BKMT2A
Hydrochloric Acid SCHEMBL7985519 0.77 CNOT7 (0.51) ADORA2AADORA2BKMT2A

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