SCHEMBL6537758

SCHEMBL6537758

C=C(C(=O)O)C(=O)ONc1cc(C)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 7/20 0.42
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
HCAR3 P49019 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL6537526 0.84 ALDH1A1 (0.50) MAPTALDH1A1MAPK1KMT2ATDP1
SCHEMBL6537801 0.80 AKR1C3 (0.53) MAPTALDH1A1MAPK1KMT2ANPC1
SCHEMBL6537433 0.79 ALDH1A1 (0.47) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL6537623 0.76 ALDH1A1 (0.45) MAPTALDH1A1MAPK1KMT2ATDP1
SCHEMBL6538199 0.76 MAPT (0.52) MAPTHTTALDH1A1MAPK1KMT2A
SCHEMBL8473074 0.69 MAPT (0.49) RECQLMAPTHTTALDH1A1TP53
SCHEMBL6537753 0.69 MAPT (0.49) RECQLMAPTHTTALDH1A1TP53
SCHEMBL29725300 0.68 RECQL (0.57) RECQLMAPTHTTALDH1A1TP53
SCHEMBL14903460 0.68 RECQL (0.57) RECQLMAPTHTTALDH1A1TP53
SCHEMBL4029678 0.67 MAPT (0.58) RECQLMAPTHTTALDH1A1TP53

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