SCHEMBL6561243

SCHEMBL6561243

COC(OC)c1cccc2c1ccc[n+]2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.37
ACHE P22303 2/20 0.37
RAB9A P51151 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CHAT P28329 1/20 0.35
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
KDM4E B2RXH2 1/20 0.30
APAF1 O14727 1/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL6559783 0.88 RAB9A (0.44) NQO2ACHERAB9ARCE1CHAT
SCHEMBL6558840 0.82 RAB9A (0.36) NQO2ACHERAB9ARCE1CHAT
SCHEMBL24373985 0.80 NQO2 (0.40) NQO2RAB9ARCE1CHATBLM
SCHEMBL6560166 0.72 SMN1; SMN2 (0.39) RAB9ARCE1CHATMAPTPKM
SCHEMBL6559787 0.70 RAB9A (0.44) NQO2RAB9ARCE1CHATMAPT
SCHEMBL12529937 0.70 NQO2 (0.60) NQO2ACHERAB9ARCE1CHAT
SCHEMBL8754514 0.70 NQO2 (0.43) NQO2ACHERAB9ARCE1CHAT
SCHEMBL19121786 0.70 CYP2A6 (0.50) NQO2RAB9ARCE1CHATMAPT
SCHEMBL2524557 0.70 ALDH1A1 (0.54) MAPTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL31127390 0.70 ALDH1A1 (0.54) MAPTADRA2AADRA2BADRA2CALDH1A1

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