SCHEMBL4303056

SCHEMBL4303056

CC(C#N)N1c2ccccc2Sc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.44
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
CHRM3 P20309 2/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
DRD3 P35462 2/20 0.40
HTR2B P41595 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
HTR1A P08908 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL9791007 0.87 MAOA (0.48) BCHEACHEADRA2AADRA2BADRA2C
SCHEMBL628020 0.76 MAOA (0.68) SNCABCHEACHEITGB2ICAM1
SCHEMBL4303059 0.72 ITGB2 (0.53) ITGB2ICAM1ITGALADRA2AADRA2B
SCHEMBL628426 0.72 ITGB2 (0.56) SNCAITGB2ICAM1ITGALADRA2A
SCHEMBL9102298 0.70 SNCA (0.47) SNCABCHEACHECYP2D6MAPT
SCHEMBL13832958 0.70 BCHE (0.51) SNCABCHEACHEITGB2ICAM1
SCHEMBL9759102 0.69 HRH3 (0.35) SNCABCHEACHEADRA2ASLC6A2
SCHEMBL9759105 0.69 HRH3 (0.35) SNCABCHEACHEADRA2ASLC6A2
SCHEMBL9759648 0.68 BCHE (0.39) SNCABCHEACHE
SCHEMBL9759641 0.68 BCHE (0.39) SNCABCHEACHE

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-7585590-B2 Rechargeable lithium-ion cell with triphenylamine redox shuttle 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-08 US disclosed
US-20070196727-A1 Rechargeable Lithium-Ion Cell with Triphenylamine Redox Shuttle 3M INNOVATIVE PROPERTIES COMPANY 2007-08-23 US disclosed