SCHEMBL6538199

SCHEMBL6538199

C=C(C(=O)O)C(=O)ONc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 1/20 0.52
AKR1B1 P15121 2/20 0.50
AKR1C4 P17516 2/20 0.50
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
AKR1C1 Q04828 2/20 0.50
KCNMA1 Q12791 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 4/20 0.47
HTT P42858 2/20 0.44
STAT3 P40763 1/20 0.44
GAA P10253 2/20 0.44
EPAS1 Q99814 1/20 0.44
LMNA P02545 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
SCHEMBL6537526 0.81 ALDH1A1 (0.50) MAPTALDH1A1KCNMA1KMT2ANPC1
SCHEMBL6537758 0.76 RECQL (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5606246 0.75 KCNMA1 (0.64) MAPTALDH1A1AKR1B1AKR1C4AKR1C3
SCHEMBL31285866 0.74 MAPT (0.55) MAPTALDH1A1AKR1B1AKR1C4AKR1C3
SCHEMBL6537433 0.74 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL11005634 0.74 KCNMA1 (0.66) MAPTALDH1A1AKR1B1AKR1C4AKR1C3
SCHEMBL6538200 0.74 MAPT (0.57) MAPTALDH1A1AKR1B1AKR1C4AKR1C3
SCHEMBL6538196 0.74 MAPT (0.57) MAPTALDH1A1AKR1B1AKR1C4AKR1C3
SCHEMBL4490148 0.73 MAPK1 (0.61) MAPTALDH1A1AKR1B1AKR1C4AKR1C3
SCHEMBL6537801 0.72 AKR1C3 (0.53) MAPTALDH1A1AKR1B1AKR1C4AKR1C3

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