SCHEMBL18096528

SCHEMBL18096528

Cc1cccc2c1nc(C)c1nccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
FLT1 P17948 1/20 0.39
CDK8 P49336 1/20 0.39
CDK9 P50750 1/20 0.39
LIMK1 P53667 1/20 0.39
ROCK1 Q13464 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
IKBKB O14920 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2C P28335 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PDE2A O00408 2/20 0.36
PDE6D O43924 1/20 0.36

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
SCHEMBL31531843 0.78 PTPN1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13131265 0.77 PTPN2 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25706382 0.71 FLT1 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27265682 0.70 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9892676 0.70 FLT1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17557193 0.70 FLT1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29994225 0.70 FLT1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11853173 0.69 MEN1 (0.51) PDE2APDE6DPDE6APDE6GPDE4A
SCHEMBL19036185 0.68 MAPK8 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19606124 0.68 HTR3E (0.41) 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-3297613-A1 MESOSCALE NANOPARTICLES FOR SELECTIVE TARGETING TO THE KIDNEY AND METHODS OF THEIR THERAPEUTIC USE Memorial Sloan Kettering Cancer Center (US) 2018-03-28 EP disclosed
WO-2016153920-A1 MESOSCALE NANOPARTICLES FOR SELECTIVE TARGETING TO THE KIDNEY AND METHODS OF THEIR THERAPEUTIC USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2016-09-29 WO disclosed