SCHEMBL1340737

SCHEMBL1340737

C[n+]1ccn(CCCC#N)c1.N#CNC#N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
APAF1 O14727 1/20 0.49
NPC1 O15118 1/20 0.49
PLA2G1B P04054 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
FDPS P14324 2/20 0.33

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
SCHEMBL372789 0.92 SMN1; SMN2 (0.56) MEN1APAF1NPC1PLA2G1BHSP90AA1
Bromide SCHEMBL26596998 0.90 SMN1; SMN2 (0.59) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL2229190 0.90 SMN1; SMN2 (0.54) MEN1APAF1NPC1PLA2G1BHSP90AA1
Cyanamide SCHEMBL1340736 0.87 SMN1; SMN2 (0.51) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL18507044 0.87 SMN1; SMN2 (0.59) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL1519031 0.86 MEN1 (0.63) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL4252320 0.86 SMN1; SMN2 (0.50) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL29624315 0.84 MEN1 (0.49) MEN1APAF1NPC1PLA2G1BHSP90AA1
Bromide SCHEMBL9547363 0.84 SMN1; SMN2 (0.65) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL15902093 0.83 MEN1 (0.73) MEN1APAF1NPC1PLA2G1BHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062815-B2 Imidazolium salt containing charge transport layer photoconductors XEROX CORPORATION (US) 2011-11-22 US claimed
US-7901856-B2 Additive containing photogenerating layer photoconductors XEROX CORPORATION (US) 2011-03-08 US claimed
US-20090092912-A1 IMIDAZOLIUM SALT CONTAINING CHARGE TRANSPORT LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US claimed
US-20090092913-A1 ADDITIVE CONTAINING PHOTOGENERATING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US claimed
US-8062815-B2 Imidazolium salt containing charge transport layer photoconductors XEROX CORPORATION (US) 2011-11-22 US disclosed
US-7914960-B2 Additive containing charge transport layer photoconductors XEROX CORPORATION (US) 2011-03-29 US disclosed
US-7901856-B2 Additive containing photogenerating layer photoconductors XEROX CORPORATION (US) 2011-03-08 US disclosed
US-7709168-B2 Phosphonium containing charge transport layer photoconductors XEROX CORPORATION (US) 2010-05-04 US disclosed
US-7709169-B2 Charge trapping releaser containing charge transport layer photoconductors XEROX CORPORATION (US) 2010-05-04 US disclosed
US-7687212-B2 Charge trapping releaser containing photogenerating layer photoconductors XEROX CORPORATION (US) 2010-03-30 US disclosed
US-20090092914-A1 PHOSPHONIUM CONTAINING PHOTOGENERATING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US disclosed
US-20090092915-A1 PHOSPHONIUM CONTAINING CHARGE TRANSPORT LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US disclosed
US-20090092912-A1 IMIDAZOLIUM SALT CONTAINING CHARGE TRANSPORT LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US disclosed
US-20090092913-A1 ADDITIVE CONTAINING PHOTOGENERATING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US disclosed
US-20090092909-A1 CHARGE TRAPPING RELEASER CONTAINING PHOTOGENERATING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US disclosed
US-20090092908-A1 CHARGE TRAPPING RELEASER CONTAINING CHARGE TRANSPORT LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US disclosed
US-20090092911-A1 ADDITIVE CONTAINING CHARGE TRANSPORT LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-04-09 US disclosed