SCHEMBL28087389

SCHEMBL28087389

CCCCCCCCCCCCCCn1cc[n+](C)c1.O=[N+]([O-])[O-]

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.78
HSP90AA1 P07900 2/20 0.78
KMT2A Q03164 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
APAF1 O14727 1/20 0.78
NPC1 O15118 1/20 0.78
PLA2G1B P04054 1/20 0.78
MAPT P10636 1/20 0.78
MAPK1 P28482 1/20 0.78
HTT P42858 1/20 0.78
RAB9A P51151 1/20 0.78
NPSR1 Q6W5P4 1/20 0.78
ATG4B Q9Y4P1 1/20 0.78
FDPS P14324 17/20 0.45

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
SCHEMBL28073982 1.00 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL7717575 1.00 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28239015 1.00 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL18575046 1.00 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL7715951 1.00 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL395912 0.93 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL899203 0.90 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL2890408 0.90 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL15535406 0.90 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL2219975 0.90 MEN1 (0.96) 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
CN-110400970-A A kind of electrolyte and its application in High Temperature Lithium Cell JIANGXI LINENG NEW ENERGY TECH CO LTD 2019-11-01 CN claimed
CN-104118865-B The method peeling off preparing graphite alkene based on ion liquid crystal 湖北大学 2016-08-24 CN disclosed