SCHEMBL6559783

SCHEMBL6559783

COC(OC)c1cc[n+](C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
RCE1 Q9Y256 1/20 0.44
CHAT P28329 1/20 0.42
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MAPT P10636 3/20 0.40
RAD52 P43351 2/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 2/20 0.40
APP P05067 1/20 0.35
NQO2 P16083 1/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 3/20 0.34
POLB P06746 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
BLM P54132 2/20 0.34
RECQL P46063 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL6561243 0.88 NQO2 (0.37) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL6560166 0.83 SMN1; SMN2 (0.39) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL6559787 0.81 RAB9A (0.44) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL6334665 0.72 RAB9A (0.47) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL17864869 0.71 ESR1 (0.40) RAB9AHTTSMN1; SMN2NPSR1MAPT
SCHEMBL6558840 0.70 RAB9A (0.36) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL30611103 0.70 RAB9A (0.69) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL1049804 0.69 MAPT (0.55) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL30894444 0.69 MAPT (0.55) RAB9ARCE1CHATHTTSMN1; SMN2
SCHEMBL6330866 0.68 RAB9A (0.47) RAB9ARCE1CHATHTTSMN1; SMN2

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