SCHEMBL6537862

SCHEMBL6537862

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KCNMA1 Q12791 4/20 0.49
TRPV1 Q8NER1 1/20 0.49
MAPT P10636 6/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
VCAM1 P19320 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 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
SCHEMBL6537866 1.00 APP (0.54) APPL3MBTL1KCNMA1TRPV1MAPT
SCHEMBL6537432 0.89 MAPT (0.50) APPL3MBTL1MAPTALDH1A1PKM
SCHEMBL8524918 0.89 MAPT (0.50) APPL3MBTL1MAPTALDH1A1PKM
SCHEMBL6536820 0.83 KCNMA1 (0.49) L3MBTL1KCNMA1MAPTLMNAALDH1A1
SCHEMBL8472886 0.83 ALDH1A1 (0.58) KCNMA1MAPTLMNAALDH1A1NPC1
SCHEMBL6536822 0.83 KCNMA1 (0.49) L3MBTL1KCNMA1MAPTLMNAALDH1A1
SCHEMBL6537524 0.83 ALDH1A1 (0.58) KCNMA1MAPTLMNAALDH1A1NPC1
SCHEMBL10863367 0.81 MAPT (0.73) L3MBTL1KCNMA1MAPTLMNAALDH1A1
SCHEMBL6538200 0.81 MAPT (0.57) KCNMA1MAPTLMNAALDH1A1PKM
SCHEMBL6538196 0.81 MAPT (0.57) KCNMA1MAPTLMNAALDH1A1PKM

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