SCHEMBL14838752

SCHEMBL14838752

COc1ccc2nc(-c3ccc(C=O)cc3)cn2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.65
ALDH1A3 P47895 6/20 0.65
NPC1 O15118 9/20 0.55
RAB9A P51151 9/20 0.55
KDM4E B2RXH2 8/20 0.55
PKM P14618 4/20 0.55
EPHX2 P34913 1/20 0.55
ALDH1A1 P00352 7/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.49
PAX8 Q06710 2/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
KDM5A P29375 1/20 0.49
KDM5C P41229 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2A6 P11509 1/20 0.49
TLR9 Q9NR96 2/20 0.48
TLR7 Q9NYK1 2/20 0.48

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
SCHEMBL13325701 0.84 ALDH1A3 (0.74) APPALDH1A3NPC1RAB9AKDM4E
SCHEMBL9488366 0.82 NPC1 (0.73) APPALDH1A3NPC1RAB9AKDM4E
SCHEMBL2817276 0.81 ALDH1A3 (0.70) APPALDH1A3NPC1RAB9AKDM4E
SCHEMBL10527726 0.81 ALDH1A3 (0.70) APPALDH1A3NPC1RAB9AKDM4E
SCHEMBL2906109 0.81 ALDH1A3 (0.70) APPALDH1A3NPC1RAB9AKDM4E
SCHEMBL2899627 0.81 ALDH1A3 (0.70) APPALDH1A3NPC1RAB9AKDM4E
SCHEMBL28338009 0.81 ALDH1A3 (0.81) APPALDH1A3NPC1RAB9AKDM4E
Bromide SCHEMBL2901637 0.80 ALDH1A3 (0.68) APPALDH1A3NPC1RAB9AKDM4E
Bromide SCHEMBL3300229 0.80 ALDH1A3 (0.68) APPALDH1A3NPC1RAB9AKDM4E
SCHEMBL19763360 0.80 NPC1 (0.68) APPALDH1A3NPC1RAB9AKDM4E

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-2978767-B1 DYEING METHOD USING A HAIR-DYEING PRECURSOR OBTAINED FROM IRIDOIDS, COMPOSITION, PRECURSOR AND DEVICE INCLUDING SAME OREAL (FR) 2018-10-03 EP disclosed
WO-2014154957-A1 DYEING METHOD USING A HAIR-DYEING PRECURSOR OBTAINED FROM IRIDOIDS, COMPOSITION, PRECURSOR AND DEVICE INCLUDING SAME L'OREAL (FR) 2014-10-02 WO disclosed
WO-2013045704-A2 DYE COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A PARTICULAR ALDEHYDE OR IMINE, DYEING PROCESS AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
WO-2013045703-A1 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A PARTICULAR ALDEHYDE OR IMINE, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed