SCHEMBL358571

SCHEMBL358571

CCCCn1cc[n+](C)c1.[H+].[H+]

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.79
HSP90AA1 P07900 2/20 0.79
KMT2A Q03164 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
APAF1 O14727 1/20 0.79
NPC1 O15118 1/20 0.79
PLA2G1B P04054 1/20 0.79
MAPT P10636 1/20 0.79
MAPK1 P28482 1/20 0.79
HTT P42858 1/20 0.79
RAB9A P51151 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
ATG4B Q9Y4P1 1/20 0.79
FDPS P14324 16/20 0.41
PON1 P27169 1/20 0.37

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
SCHEMBL2027272 1.00 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL34969 0.98 MEN1 (0.81) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL2580666 0.96 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL20957483 0.96 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Water SCHEMBL602794 0.96 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Fluoride Ion SCHEMBL1898684 0.96 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL36719 0.96 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL232599 0.96 SMN1; SMN2 (0.85) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL14841603 0.96 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Iodide SCHEMBL3697966 0.96 MEN1 (0.79) 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-8629289-B2 Method for the preparation of 1-acetyl-6-amino-3,3-dimethyl-2,3-dihydroindole AMGEN INC. (US) 2014-01-14 US disclosed
US-20120011886-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY 2012-01-19 US disclosed