SCHEMBL11089419

SCHEMBL11089419

CN(C)c1ccc(C#CC(=O)C#Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.60
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48
ACACB O00763 1/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
HSD17B3 P37058 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL10300053 0.79 ALDH1A1 (0.65) APPALDH1A1MAPTACACBTSHR
SCHEMBL770159 0.79 ALDH1A1 (0.65) APPALDH1A1MAPTACACBTSHR
SCHEMBL9073927 0.76 APP (0.68) APPALDH1A1HPGDMAPTALOX15
SCHEMBL20089259 0.76 VCP (0.55) ALDH1A1HPGDACACBNPSR1RAB9A
SCHEMBL8063434 0.75 CYP2A6 (0.48) APPALDH1A1HPGDMAPTACACB
SCHEMBL28972857 0.73 APP (0.69) APPALDH1A1HPGDMAPTACACB
SCHEMBL31542885 0.73 MEN1 (0.59) APPALDH1A1HPGDMAPTACACB
SCHEMBL8028758 0.73 ALDH1A1 (0.55) APPALDH1A1MAPTACACBTSHR
SCHEMBL9130686 0.72 APP (0.68) APPALDH1A1HPGDMAPTALOX15
SCHEMBL30363617 0.72 APP (0.53) APPALDH1A1HPGDMAPTACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431586-A Monocyclic telluropyrones EASTMAN KODAK COMPANY (US) 1984-02-14 US disclosed