SCHEMBL13201658

SCHEMBL13201658

CCC(=O)OCCN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
SLC16A3 O15427 1/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
MAOB P27338 1/20 0.34
ELANE P08246 2/20 0.33
BACE1 P56817 2/20 0.33
INSR P06213 1/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NQO1 P15559 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL62350 0.92 MAOA (0.37) MAOASLC16A3ATP4AATP4BMAOB
SCHEMBL62625 0.92 MAOA (0.37) MAOASLC16A3ATP4AATP4BMAOB
SCHEMBL62023 0.85 SLC16A3 (0.38) MAOASLC16A3ELANEINSRMAPT
SCHEMBL62571 0.81 KMT2A (0.39) INSRMAPTKMT2AGAABLM
SCHEMBL13931380 0.79 EGFR (0.38) MAOASLC16A3INSRMAPTKMT2A
SCHEMBL13201642 0.77 APP (0.33) MAOAMAOBINSRMAPTAPP
SCHEMBL23533647 0.69 SLC16A3 (0.40) MAOASLC16A3ELANEMAPTKMT2A
SCHEMBL23533635 0.65 SLC16A3 (0.36) SLC16A3MAOBELANEMAPTKMT2A
SCHEMBL31722935 0.65 SLC16A3 (0.36) SLC16A3MAOBELANEMAPTKMT2A
SCHEMBL11136666 0.65 INSR (0.51) ATP4AATP4BINSRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed