SCHEMBL4072573

SCHEMBL4072573

CN(C)c1ccccc1/C=C/c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
HBB P68871 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
APP P05067 1/20 0.44
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A1 P04798 2/20 0.41

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
SCHEMBL2845201 0.85 RELA (0.55) APPRELAGRM5
SCHEMBL2845206 0.85 RELA (0.55) APPRELAGRM5
SCHEMBL29808641 0.83 RELA (0.53) APPRELAGRM5
SCHEMBL29523356 0.82 GSK3B (0.44) MAPTSMN1; SMN2KDM4ELMNAAPP
SCHEMBL9928814 0.80 MAPT (0.53) MAPTNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL28048773 0.80 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL2776337 0.80 APP (0.67) MAPTNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL2776332 0.80 APP (0.67) MAPTNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL8359207 0.77 CHAT (0.60) MAPTNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL9000452 0.76 MAPT (0.39) MAPTNPC1SMN1; SMN2RAB9AKDM4E

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-1814854-B1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2015-02-25 EP disclosed
EP-1814854-A4 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2009-08-05 EP disclosed
EP-1814854-A1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC Foundation For Research Development (US) 2007-08-08 EP disclosed
WO-2006050264-A1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2006-05-11 WO disclosed