SCHEMBL6537540

SCHEMBL6537540

Nc1cccc2c(OCc3ccccc3)ccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
LTA4H P09960 2/20 0.50
MAPK14 Q16539 1/20 0.50
SLC40A1 Q9NP59 1/20 0.47
ROCK1 Q13464 2/20 0.46
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
MPO P05164 1/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APP P05067 1/20 0.43
DCPS Q96C86 1/20 0.43
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAOB P27338 2/20 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
SCHEMBL11973262 0.88 LTA4H (0.58) PLAUPLATLTA4HMAPK14SLC40A1
SCHEMBL4990365 0.84 SLC40A1 (0.50) PLAUPLATLTA4HMAPK14SLC40A1
SCHEMBL31602902 0.82 PLAU (0.48) PLAUPLATLTA4HMAPK14SLC40A1
SCHEMBL12474991 0.80 ALDH1A1 (0.50) ADORA1ADORA2AMAPTL3MBTL1MAPK1
SCHEMBL4087525 0.79 MAPT (0.55) PLAUPLATLTA4HMAPK14ROCK1
SCHEMBL12154379 0.78 MEN1 (0.40) SLC40A1MAPTMAOBGAA
SCHEMBL6537956 0.76 KMT2A (0.55) SLC40A1MAPTL3MBTL1TDP1RAB9A
SCHEMBL31602674 0.76 PTGER1 (0.52) PLAUPLATSLC40A1TDP1
SCHEMBL6537541 0.76 CYP3A4 (0.40) MAPTMAPK1SMN1; SMN2
SCHEMBL6600225 0.76 LTA4H (0.58) PLAUPLATLTA4HMAPK14SLC40A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed