SCHEMBL13770859

SCHEMBL13770859

C[N+](C)(Cc1cccc(C[N+](C)(C)Cc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c1)Cc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BCHE P06276 5/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ALOX5 P09917 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL13771059 1.00 MAOB (0.54) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL13771058 0.98 MAOB (0.56) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL5329319 0.81 MAOB (0.72) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL15761346 0.79 LMNA (0.61) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL4674930 0.78 MEN1 (0.70) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL21026818 0.78 MAOB (0.58) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL14218089 0.78 GRM5 (0.59) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL21263202 0.78 MAOB (0.58) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL14339782 0.78 GRM5 (0.59) MAOBMEN1KMT2ABCHECYP4F2
SCHEMBL544056 0.77 CYP4F2 (0.51) MAOBMEN1KMT2ABCHECYP4F2

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
WO-2009087064-A1 ELECTROLUMINESCENT IONIC HOST-GUEST DENDRITIC MATERIALS BASF SE (DE) 2009-07-16 WO disclosed