SCHEMBL13091019

SCHEMBL13091019

CCn1c2ccccc2c2cc(C=Cc3cc[n+](CCCCSOOO)c4ccccc34)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.54
▸ BCHE P06276 3/20 0.47
▸ ACHE P22303 3/20 0.47
▸ KDM4E B2RXH2 5/20 0.43
▸ POLB P06746 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ SRC P12931 4/20 0.42
▸ ALDH1A1 P00352 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ LMNA P02545 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL13091030 0.97 APP (0.55) APPBCHEACHEKDM4EPOLB
SCHEMBL16183126 0.86 APP (0.57) APPBCHEACHEKDM4EPOLB
SCHEMBL13745868 0.82 APP (0.61) APPBCHEACHEKDM4EPOLB
SCHEMBL16091909 0.82 APP (0.54) APPBCHEACHEKDM4EPOLB
SCHEMBL16091914 0.81 APP (0.56) APPBCHEACHEKDM4EPOLB
SCHEMBL16183127 0.81 APP (0.55) APPBCHEACHEKDM4EPOLB
SCHEMBL16091910 0.79 APP (0.55) APPBCHEACHEKDM4EPOLB
SCHEMBL1105641 0.79 APP (0.55) APPBCHEACHEKDM4EPOLB
SCHEMBL16091916 0.78 APP (0.56) APPBCHEACHEKDM4EPOLB
SCHEMBL10118417 0.77 APP (0.53) APPBCHEACHEKDM4EPOLB

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
US-20100267078-A1 Selective Detection of Proteins that Contain Two or More Alpha-Helical Transmembrane Domains Life Technologies Corporation (US) 2010-10-21 — — US disclosed
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