SCHEMBL10854366

SCHEMBL10854366

Cc1cccc([N]C(N)=S)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.66
HTR3B O95264 2/20 0.66
HTR3A P46098 2/20 0.66
HTR3D Q70Z44 2/20 0.66
HTR3C Q8WXA8 2/20 0.66
SIGMAR1 Q99720 2/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
CYP1A2 P05177 1/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 3/20 0.43

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
SCHEMBL1515207 0.80 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1885159 0.79 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11489775 0.76 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
M-Xylene SCHEMBL28015969 0.75 ACHE (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11488891 0.74 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
M-Xylene SCHEMBL27788949 0.73 ACHE (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1751106 0.73 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1405327 0.71 MEN1 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11981455 0.71 MEN1 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1056695 0.71 ACHE (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4618610-A Triazine derivatives, and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0123254-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP disclosed