SCHEMBL8355802

SCHEMBL8355802

CCN(CCO)CCOc1cccc2sc(Cc3ccccn3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.39
HTR1D P28221 1/20 0.39
THRB P10828 1/20 0.37
ALDH1A1 P00352 4/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RAD52 P43351 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
AGER Q15109 1/20 0.33

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
SCHEMBL8358024 0.83 HTR1B (0.47) HTR1BHTR1DTHRBALDH1A1DRD2
SCHEMBL8357744 0.83 THRB (0.40) HTR1BHTR1DTHRBALDH1A1DRD2
SCHEMBL8356718 0.82 THRB (0.39) HTR1BHTR1DTHRBALDH1A1DRD2
SCHEMBL8361614 0.81 HTR1B (0.46) HTR1BHTR1DTHRBALDH1A1MEN1
SCHEMBL8356222 0.80 THRB (0.38) HTR1BHTR1DTHRBALDH1A1DRD2
SCHEMBL8552033 0.80 LMNA (0.52) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL8358531 0.74 ALDH1A1 (0.48) HTR1BHTR1DTHRBALDH1A1DRD2
SCHEMBL8357765 0.72 SCD (0.37) ALDH1A1NPC1
SCHEMBL8359946 0.70 THRB (0.42) THRBALDH1A1DRD2DRD1DRD3
SCHEMBL8355833 0.69 THRB (0.40) THRBALDH1A1MEN1KMT2ARAD52

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-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed