SCHEMBL4058232

SCHEMBL4058232

CCCCCCCCCC[n+]1cn(C)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
THRB P10828 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
SCHEMBL4072366 1.00 CA1 (0.44) CA1CA2HTTMEN1KMT2A
SCHEMBL4066559 1.00 CA1 (0.44) CA1CA2HTTMEN1KMT2A
SCHEMBL4062050 1.00 CA1 (0.44) CA1CA2HTTMEN1KMT2A
SCHEMBL411686 1.00 CA1 (0.44) CA1CA2HTTMEN1KMT2A
Bromide SCHEMBL11538251 0.98 CA1 (0.46) CA1CA2HTTMEN1KMT2A
SCHEMBL413468 0.92 CA1 (0.36) CA1CA2HTT
Hydrochloric Acid SCHEMBL21354554 0.74
SCHEMBL1826848 0.72 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL4070935 0.72 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL4068859 0.72 CA1 (0.61) CA1CA2HTTMEN1KMT2A

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
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 WO disclosed