SCHEMBL6536822

SCHEMBL6536822

O=C(O)C(=CNc1ccc(F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.49
MAPT P10636 6/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.42
HCAR3 P49019 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL6536820 1.00 KCNMA1 (0.49) KCNMA1MAPTLMNAMEN1KMT2A
SCHEMBL6538200 0.83 MAPT (0.57) KCNMA1MAPTLMNAMEN1KMT2A
SCHEMBL6538196 0.83 MAPT (0.57) KCNMA1MAPTLMNAMEN1KMT2A
SCHEMBL6537866 0.83 APP (0.54) KCNMA1MAPTLMNAMEN1KMT2A
SCHEMBL6537524 0.83 ALDH1A1 (0.58) KCNMA1MAPTLMNAKMT2AMAPK1
SCHEMBL6537862 0.83 APP (0.54) KCNMA1MAPTLMNAMEN1KMT2A
SCHEMBL8472886 0.83 ALDH1A1 (0.58) KCNMA1MAPTLMNAKMT2AMAPK1
SCHEMBL6980498 0.79 MEN1 (0.53) KCNMA1MAPTMEN1KMT2ATDP1
SCHEMBL6980493 0.79 MEN1 (0.53) KCNMA1MAPTMEN1KMT2ATDP1
SCHEMBL7532822 0.79 TDP1 (0.50) KCNMA1MAPTLMNAMEN1KMT2A

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