SCHEMBL9528131

SCHEMBL9528131

CSC(=NCCc1ccccc1)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
HTT P42858 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
HIF1A Q16665 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRA2B P18089 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL7896868 0.88 NPY5R (0.50) MAPTHTTLMNASMN1; SMN2NPC1
SCHEMBL9531721 0.87 MAPT (0.44) MAPTGRIN1GRIN2BHTTLMNA
SCHEMBL21675987 0.82 IDO1 (0.51) MAPTGRIN1GRIN2BCA1CA2
SCHEMBL25873912 0.78 GRIN1 (0.41) MAPTGRIN1GRIN2BLMNATSHR
SCHEMBL11318413 0.77 SCN5A (0.44) MAPTGRIN1GRIN2BHTTLMNA
SCHEMBL11318408 0.77 SCN5A (0.44) MAPTGRIN1GRIN2BHTTLMNA
SCHEMBL7898569 0.76 NPY5R (0.47) MAPTHTTLMNASMN1; SMN2NPC1
SCHEMBL17199018 0.75 GAA (0.46) MAPTGRIN1GRIN2BHTTCA1
SCHEMBL5391449 0.72 HSD17B10 (0.45) MAPTGRIN1GRIN2BLMNATSHR
SCHEMBL5391446 0.72 HSD17B10 (0.45) MAPTGRIN1GRIN2BLMNATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed