SCHEMBL6537784

SCHEMBL6537784

Nc1cccc2c(CO)ccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
TSHR P16473 2/20 0.66
TP53 P04637 1/20 0.66
ALOX12 P18054 1/20 0.66
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NR4A2 P43354 1/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43

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
SCHEMBL7567056 0.84 MAPT (0.46) KDM4ELMNAMAPTTSHRTP53
SCHEMBL28976960 0.80 KDM4E (0.68) KDM4ELMNAMAPTTSHRTP53
SCHEMBL30345465 0.80 KDM4E (0.68) KDM4ELMNAMAPTTSHRTP53
SCHEMBL30345468 0.80 KDM4E (0.68) KDM4ELMNAMAPTTSHRTP53
SCHEMBL26964169 0.80 MAPT (0.42) KDM4ELMNAMAPTTSHRTP53
SCHEMBL16132606 0.79 KDM4E (1.00) KDM4ELMNAMAPTTSHRTP53
SCHEMBL30345474 0.78 KDM4E (0.66) KDM4ELMNAMAPTTSHRTP53
SCHEMBL30668493 0.78 NR4A2 (0.68) KDM4ELMNAMAPTTSHRNR4A2
SCHEMBL6629560 0.78 NR4A2 (0.68) KDM4ELMNAMAPTTSHRNR4A2
SCHEMBL28165068 0.78 LMNA (0.66) KDM4ELMNAMAPTTSHRTP53

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