SCHEMBL12657239

SCHEMBL12657239

CNc1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.59
CHAT P28329 6/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
KCNH2 Q12809 2/20 0.55
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
ALPG P10696 1/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GLA P06280 1/20 0.50
MAT2A P31153 1/20 0.47

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
SCHEMBL9680312 0.84 APP (0.77) APPKCNH2MAT2A
SCHEMBL30612471 0.84 CHAT (0.76) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL9678907 0.84 APP (0.77) APPKCNH2MAT2A
SCHEMBL19003408 0.84 APP (0.77) APPKCNH2MAT2A
SCHEMBL900823 0.84 APP (0.77) APPKCNH2MAT2A
SCHEMBL12519753 0.82 CHAT (0.80) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL10001242 0.82 CHAT (0.80) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL10257279 0.79
SCHEMBL12657463 0.79 CHAT (0.52) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL12657083 0.79 APP (0.53) APPRAB9AKCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004756-B1 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 EP disclosed
WO-2008034272-A1 STILBAZOLIUM SALT ETH Zürich (CH) 2008-03-27 WO disclosed
WO-2007128691-A1 HIGH CAPACITY OPTICAL STORAGE MEDIA COMPRISING ORGANOMETALLIC ION PAIRS CIBA HOLDING INC. (CH) 2007-11-15 WO disclosed