SCHEMBL5675236

SCHEMBL5675236

CN(C)c1ccc(C=Cc2ccc3ccccc3[n+]2C)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.97
KMT2A Q03164 7/20 0.97
POLB P06746 6/20 0.97
MEN1 O00255 5/20 0.97
SMN1; SMN2 Q16637 4/20 0.97
BCHE P06276 3/20 0.97
LMNA P02545 3/20 0.97
HTT P42858 3/20 0.97
RAB9A P51151 3/20 0.97
BLM P54132 3/20 0.97
NPSR1 Q6W5P4 3/20 0.97
MAPT P10636 3/20 0.97
NPC1 O15118 2/20 0.97
THRB P10828 2/20 0.97
MAPK1 P28482 2/20 0.97
RECQL P46063 2/20 0.97
PKM P14618 1/20 0.97
ALDH1A1 P00352 3/20 0.67
PPARG P37231 2/20 0.67
NCOA2 Q15596 2/20 0.67

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
SCHEMBL5675231 1.00 ACHE (0.97) ACHEKMT2APOLBMEN1SMN1; SMN2
Iodide SCHEMBL592814 0.99 ACHE (1.00) ACHEKMT2APOLBMEN1SMN1; SMN2
Iodide SCHEMBL592815 0.99 ACHE (1.00) ACHEKMT2APOLBMEN1SMN1; SMN2
Iodide SCHEMBL31277202 0.99 ACHE (1.00) ACHEKMT2APOLBMEN1SMN1; SMN2
Perchlorate SCHEMBL4886007 0.95 ACHE (0.87) ACHEKMT2APOLBMEN1SMN1; SMN2
SCHEMBL8336760 0.87 ACHE (0.76) ACHEKMT2APOLBMEN1SMN1; SMN2
SCHEMBL8336762 0.87 ACHE (0.76) ACHEKMT2APOLBMEN1SMN1; SMN2
SCHEMBL14007198 0.87 ACHE (0.74) ACHEKMT2APOLBMEN1SMN1; SMN2
SCHEMBL13043740 0.84 ACHE (0.70) ACHEKMT2APOLBMEN1SMN1; SMN2
Iodide SCHEMBL5088258 0.83 ACHE (1.00) ACHEKMT2APOLBMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 EP claimed