SCHEMBL2478435

SCHEMBL2478435

N/C(=N\c1ccccc1)N(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.52
HTR3B O95264 2/20 0.52
HTR3A P46098 2/20 0.52
HTR3D Q70Z44 2/20 0.52
HTR3C Q8WXA8 2/20 0.52
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
SLC22A3 O75751 1/20 0.52
PLAU P00749 1/20 0.52
NOS1 P29475 6/20 0.50
NOS3 P29474 4/20 0.50
SIGMAR1 Q99720 5/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 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
SCHEMBL2478437 1.00 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL109210 0.81 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6049836 0.81 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL3143830 0.79 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
Bromide SCHEMBL31532276 0.79 NOS1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3067531 0.75 NOS1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3067533 0.75 NOS1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27747191 0.74 NOS1 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3080879 0.73 KMT2A (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3080877 0.73 KMT2A (0.45) 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
EP-2376074-A1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS Dritte Patentportfolio Beteiligungsgesellschaft mbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010078867-A1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2010-07-15 WO disclosed