SCHEMBL1246908

SCHEMBL1246908

CNc1ccc(C=Cc2cc[n+](C(=O)CCN)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.42
RAD52 P43351 3/20 0.40
PKM P14618 3/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
NSD2 O96028 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
PPARG P37231 1/20 0.40
RECQL P46063 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
SCHEMBL1246532 0.87 CHAT (0.40) CHATRAD52PKMHTTNPSR1
SCHEMBL16144030 0.82 KDM4E (0.37) CHATRAD52PKMHTTNPSR1
Iodide SCHEMBL3707094 0.82 KDM4E (0.37) CHATRAD52PKMHTTNPSR1
SCHEMBL18349245 0.77 HTT (0.49) CHATRAD52PKMHTTNPSR1
SCHEMBL1245824 0.77 BACE1 (0.46) CHATRAD52PKMHTTNPSR1
SCHEMBL19860018 0.76 HTT (0.48) CHATRAD52PKMHTTNPSR1
SCHEMBL1245835 0.72 CHAT (0.59) CHATRAD52PKMHTTNPSR1
Hydrochloric Acid SCHEMBL1246670 0.71 CHAT (0.57) CHATRAD52PKMHTTNPSR1
Beta-Alanine SCHEMBL1246610 0.70 ATG4B (0.60) HTTNPSR1MEN1NPC1POLB
SCHEMBL1246527 0.70 MAPT (0.42) CHATRAD52PKMHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 WO disclosed