SCHEMBL4255050

SCHEMBL4255050

CN(C)c1ccccc1/C=C/c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ATM Q13315 1/20 0.57
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GRM4 Q14833 1/20 0.42
NR1H2 P55055 1/20 0.41
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL29523356 0.82 GSK3B (0.44) KDM4EGAAMAPTMAPK1
SCHEMBL16070373 0.80 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
Methyl Alcohol SCHEMBL28478479 0.76 NPC1 (0.89) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8519975 0.76 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9000455 0.76 MAPT (0.39) NPC1RAB9AATMKDM4EGAA
SCHEMBL229328 0.76 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9000452 0.76 MAPT (0.39) NPC1RAB9AATMKDM4EGAA
SCHEMBL31560044 0.76 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9394256 0.76 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229329 0.76 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM

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-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
US-5834230-A Viscosity Probe MCGILL UNIVERSITY (CA) 1998-11-10 US disclosed