SCHEMBL1246751

SCHEMBL1246751

Nc1ccc(C=Cc2cc[n+](Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
NSD2 O96028 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
PPARG P37231 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL1226170 0.82 RAB9A (0.52) RAD52KDM4ENPC1ALDH1A1HTT
SCHEMBL1246527 0.79 MAPT (0.42) RAD52KDM4ENPC1ALDH1A1HTT
SCHEMBL13411392 0.78 NPC1 (0.43) RAD52KDM4ENPC1ALDH1A1HTT
Bromide SCHEMBL14739897 0.78 CHKA (0.76) CHKA
Bromide SCHEMBL2331690 0.78 CHKA (0.76) CHKA
Bromide SCHEMBL2331687 0.78 CHKA (0.76) CHKA
SCHEMBL1245866 0.77 LTA4H (0.45) RAD52KDM4ENPC1ALDH1A1HTT
Water SCHEMBL2337015 0.77 CHKA (0.74) CHKA
Water SCHEMBL2337012 0.77 CHKA (0.74) CHKA
SCHEMBL14700346 0.76 CHAT (0.77) RAD52KDM4ENPC1ALDH1A1HTT

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