SCHEMBL2589547

SCHEMBL2589547

[C-]#[N+]CCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.42
ALOX5 P09917 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR2 P34972 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LPAR1 Q92633 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21628078 0.82 REN (0.56) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL2580428 0.80 ALDH1A1 (0.41) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL4207867 0.79 HDAC1 (0.57) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL1753870 0.77 HDAC6 (0.58) RENLMNACNR2HDAC1HDAC6
SCHEMBL5506263 0.77 REN (0.51) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL671194 0.77 REN (0.55) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL2584582 0.77 LIMK2 (0.56) RENMEN1KMT2ATDP1
SCHEMBL901839 0.76 REN (0.50) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL16333819 0.76 REN (0.54) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL11208970 0.76 REN (0.50) RENMEN1KMT2ALMNAALDH1A1

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
EP-2563847-B1 MCR DENDRIMERS LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2016-04-13 EP disclosed
EP-2563847-A1 MCR DENDRIMERS Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) 2013-03-06 EP disclosed
WO-2011134607-A1 MCR DENDRIMERS LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (DE) 2011-11-03 WO disclosed