SCHEMBL28532841

SCHEMBL28532841

Cc1ccc(N=C(NO)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3A P46098 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
SLC22A3 O75751 1/20 0.54
PLAU P00749 1/20 0.54
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 1/20 0.48
ESR2 Q92731 1/20 0.45

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
SCHEMBL27504473 0.77 GRIN2D (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11141003 0.77 GRIN2D (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8741840 0.73 GRIN2D (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14816923 0.72 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27552961 0.72 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15828369 0.71 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6305161 0.71 GRIN2D (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6305159 0.71 GRIN2D (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10066905 0.70 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL166140 0.70 SLC22A2 (1.00) 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
CN-112368329-B Rubber composition for tire tread and tire 住友橡胶工业株式会社 2023-02-28 CN disclosed
CN-112368329-A Rubber composition for tire tread and tire 住友橡胶工业株式会社 2021-02-12 CN disclosed