SCHEMBL11044455

SCHEMBL11044455

FC(F)(F)c1cccc(/N=C(\Cl)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
CES2 O00748 1/20 0.46

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
SCHEMBL11044469 1.00 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11379923 0.81 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11379922 0.81 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9812140 0.81 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16336156 0.81 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16336155 0.81 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15073420 0.81 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11373780 0.78 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11373784 0.78 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4624494 0.76 KMT2A (0.54) 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
US-4427699-A Imidoyl thioureas as used to control tobacco budworm STAUFFER CHEMICAL COMPANY (US) 1984-01-24 US disclosed