SCHEMBL6559787

SCHEMBL6559787

CCOC(OCC)c1cc[n+](C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
RCE1 Q9Y256 1/20 0.44
CHAT P28329 1/20 0.40
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
RAD52 P43351 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
MAPK1 P28482 2/20 0.37
APP P05067 2/20 0.36
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
NSD2 O96028 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6558840 0.89 RAB9A (0.36) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL6559486 0.84 SMN1; SMN2 (0.39) RAB9ARCE1HTTSMN1; SMN2MAPT
SCHEMBL6559783 0.81 RAB9A (0.44) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL6330866 0.75 RAB9A (0.47) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL30611103 0.70 RAB9A (0.69) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL6561243 0.70 NQO2 (0.37) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL18823593 0.68 RAB9A (0.51) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL5386636 0.68 IDO1 (0.46) L3MBTL1
SCHEMBL6560166 0.67 SMN1; SMN2 (0.39) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL3170625 0.67 GPR84 (0.62) SMN1; SMN2NPSR1MAPTPKMMEN1

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