SCHEMBL6537432

SCHEMBL6537432

O=C(O)C(=CNc1cc(Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
APP P05067 1/20 0.45
PHGDH O43175 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
BACE1 P56817 1/20 0.41
VCAM1 P19320 1/20 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
SCHEMBL8524918 1.00 MAPT (0.50) MAPTALDH1A1KDM4EMAPK1TSHR
SCHEMBL6537862 0.89 APP (0.54) MAPTALDH1A1KDM4EMAPK1APP
SCHEMBL6537866 0.89 APP (0.54) MAPTALDH1A1KDM4EMAPK1APP
SCHEMBL6538195 0.83 MAPT (0.70) MAPTALDH1A1TSHR
SCHEMBL6538193 0.83 MAPT (0.70) MAPTALDH1A1TSHR
SCHEMBL6537797 0.80 MAPT (0.59) MAPTALDH1A1MAPK1BACE1
SCHEMBL8474164 0.80 MAPT (0.59) MAPTALDH1A1MAPK1BACE1
SCHEMBL6980498 0.79 MEN1 (0.53) MAPTALDH1A1KDM4EMAPK1PHGDH
SCHEMBL6980493 0.79 MEN1 (0.53) MAPTALDH1A1KDM4EMAPK1PHGDH
SCHEMBL27669245 0.77 TSHR (0.53) MAPTALDH1A1KDM4EMAPK1TSHR

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