SCHEMBL6558840

SCHEMBL6558840

CCOC(OCC)c1cccc2c1ccc[n+]2C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
RCE1 Q9Y256 1/20 0.36
NQO2 P16083 2/20 0.35
CHAT P28329 1/20 0.33
ACHE P22303 2/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL6559787 0.89 RAB9A (0.44) RAB9ARCE1NQO2CHATMAPT
SCHEMBL6561243 0.82 NQO2 (0.37) RAB9ARCE1NQO2CHATACHE
SCHEMBL24373985 0.76 NQO2 (0.40) RAB9ARCE1NQO2CHAT
SCHEMBL6559486 0.75 SMN1; SMN2 (0.39) RAB9ARCE1MAPTPKMMAPK1
SCHEMBL6559783 0.70 RAB9A (0.44) RAB9ARCE1NQO2CHATACHE
Iodide SCHEMBL9593667 0.68 IDO1 (0.41) RAB9ARCE1NQO2CHATMAPT
SCHEMBL6559470 0.68 ACHE (0.40) RAB9AACHE
SCHEMBL6330866 0.67 RAB9A (0.47) RAB9ARCE1CHATMAPTPKM
SCHEMBL12529937 0.67 NQO2 (0.60) RAB9ARCE1NQO2CHATACHE
SCHEMBL8754514 0.66 NQO2 (0.43) RAB9ARCE1NQO2CHATACHE

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-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed