SCHEMBL7089183

SCHEMBL7089183

CC(=O)CC=Nc1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 6/20 0.41
HPGD P15428 1/20 0.41
CRHR1 P34998 3/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 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
SCHEMBL7089299 0.77 KDM4E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7591578 0.75 MAPT (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11766616 0.74 MAPT (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7094248 0.73 ALDH1A1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29050814 0.71 TP53 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28242757 0.71 MAPT (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17743517 0.71 CYP2C9 (0.37) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL25944761 0.70 ALDH1A1 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9094641 0.70 ALDH1A1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7592197 0.70 ALDH1A1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C

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
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 WO disclosed