SCHEMBL6683807

SCHEMBL6683807

O=[C]c1occc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43
MAOB P27338 1/20 0.42
PSMB8 P28062 1/20 0.42
PTPRC P08575 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 1/20 0.40
PELI1 Q96FA3 1/20 0.40
TDP2 O95551 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
SCHEMBL6458164 0.77 TSHR (0.51) LMNATSHRMAPTNPC1RAB9A
SCHEMBL6738366 0.73 TSHR (0.76) LMNATSHRMAPTNPC1RAB9A
SCHEMBL11392466 0.71 TSHR (0.73) LMNATSHRMAPTNPC1RAB9A
Iodide SCHEMBL28598177 0.71 TSHR (0.73) LMNATSHRMAPTNPC1RAB9A
Iodide SCHEMBL30804629 0.71 TSHR (0.73) LMNATSHRMAPTNPC1RAB9A
SCHEMBL11392461 0.71 TSHR (0.73) LMNATSHRMAPTNPC1RAB9A
SCHEMBL28471286 0.71 TSHR (0.73) LMNATSHRMAPTNPC1RAB9A
SCHEMBL2851056 0.71 NPC1 (0.51) LMNATSHRMAPTNPC1RAB9A
SCHEMBL1478380 0.70 MAPT (0.66) LMNATSHRMAPTNPC1RAB9A
SCHEMBL13118928 0.70 TSHR (0.50) LMNATSHRMAPTNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004024755-A2 SARCOLYSYL DERIVATIVES AND METHOD FOR THE PRODUCTION THEREOF LIPAL BIOCHEMICALS AG (CH) 2004-03-25 WO disclosed