SCHEMBL7986327

SCHEMBL7986327

Oc1nc(-c2cccnc2)nc2ncn(CCc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GBA1 P04062 8/20 0.42
PDE5A O76074 3/20 0.42
DHPS P49366 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 3/20 0.39
F2 P00734 1/20 0.39
CYP2E1 P05181 1/20 0.39

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
SCHEMBL7974043 0.94 GBA1 (0.43) NPC1RAB9AGBA1PDE5ADHPS
SCHEMBL7974615 0.90 ADORA2A (0.44) ALDH1A1HTTCNOT7
SCHEMBL7974286 0.89 DHPS (0.49) NPC1RAB9AGBA1PDE5ADHPS
SCHEMBL7991678 0.87 HTT (0.40) RAB9AALDH1A1HTTMAPK1MEN1
SCHEMBL7984406 0.83 CASR (0.43) ALDH1A1HTTCNOT7
SCHEMBL7984242 0.82 CNOT7 (0.45) ALDH1A1TSHRHTTMAPK1LMNA
SCHEMBL7973871 0.82 ADORA3 (0.40) ALDH1A1HTTCNOT7
SCHEMBL7988583 0.81 ALDH1A1 (0.41) ALDH1A1HTTMAPTMEN1LMNA
SCHEMBL7988551 0.81 ADORA3 (0.43) ALDH1A1HTTCNOT7
SCHEMBL7984683 0.81 CNOT7 (0.37) ALDH1A1HTTCNOT7

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