SCHEMBL16307692

SCHEMBL16307692

C=C[n+]1ccn(CCCCCCCCCCCC)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
HSP90AA1 P07900 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
APAF1 O14727 1/20 0.57
NPC1 O15118 1/20 0.57
PLA2G1B P04054 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
FDPS P14324 17/20 0.41

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
SCHEMBL31501079 1.00 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL8450143 1.00 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL27921181 1.00 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL2399324 0.98 MEN1 (0.60) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL21616795 0.98 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL2395867 0.98 MEN1 (0.60) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL2394765 0.98 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL2395709 0.98 MEN1 (0.60) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL7132314 0.98 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL2395819 0.98 MEN1 (0.60) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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-20160177103-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS E INK CORPORATION 2016-06-23 US disclosed
WO-2014198373-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2014-12-18 WO disclosed