SCHEMBL6537824

SCHEMBL6537824

CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1OCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 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
SCHEMBL4785490 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6537450 0.84 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6537939 0.81 KMT2A (0.56) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL7878656 0.81 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5752237 0.77 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5504475 0.76 KMT2A (0.62) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6538077 0.75 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL10728810 0.75 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL11329048 0.75 ALDH1A1 (0.49) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL6538048 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1NPC1RAB9A

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