SCHEMBL6537433

SCHEMBL6537433

C=C(C(=O)O)C(=O)ONc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
APP P05067 1/20 0.41
MAPT P10636 5/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL6537801 0.82 AKR1C3 (0.53) ALDH1A1MAPK1MAPTLMNAMEN1
SCHEMBL6537758 0.79 RECQL (0.44) ALDH1A1L3MBTL1MAPK1TSHRMAPT
SCHEMBL6537526 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1TSHRMAPT
SCHEMBL6538199 0.74 MAPT (0.52) ALDH1A1MAPK1MAPTPKMLMNA
SCHEMBL26125825 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1MAPK1TSHR
SCHEMBL8524918 0.70 MAPT (0.50) ALDH1A1KDM4EL3MBTL1MAPK1TSHR
SCHEMBL6537432 0.70 MAPT (0.50) ALDH1A1KDM4EL3MBTL1MAPK1TSHR
SCHEMBL8611245 0.70 MAPT (0.59) ALDH1A1KDM4EL3MBTL1MAPK1TSHR
SCHEMBL438853 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPK1TSHR
SCHEMBL438852 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPK1TSHR

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 3 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
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