SCHEMBL19860018

SCHEMBL19860018

CNc1ccc(/C=C\c2cc[n+](CC(=O)[O-])c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
NSD2 O96028 2/20 0.48
POLB P06746 2/20 0.48
PKM P14618 2/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAD52 P43351 2/20 0.48
MAPT P10636 2/20 0.48
RECQL P46063 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48

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
SCHEMBL18349245 0.90 HTT (0.49) HTTKMT2AMEN1NPC1NSD2
SCHEMBL20285887 0.84 MEN1 (0.69) HTTKMT2AMEN1NPC1NSD2
SCHEMBL1246908 0.76 CHAT (0.42) HTTKMT2AMEN1NPC1NSD2
SCHEMBL15294998 0.76 POLB (0.52) HTTKMT2AMEN1NPC1NSD2
SCHEMBL16663902 0.74 MEN1 (0.71) HTTKMT2AMEN1NPC1NSD2
SCHEMBL1246532 0.71 CHAT (0.40) HTTKMT2AMEN1NPC1NSD2
SCHEMBL9455035 0.70 MEN1 (0.70) HTTKMT2AMEN1NPC1NSD2
SCHEMBL9455038 0.70 MEN1 (0.70) HTTKMT2AMEN1NPC1NSD2
SCHEMBL1245824 0.70 BACE1 (0.46) HTTKMT2AMEN1NPC1NSD2
SCHEMBL1245866 0.70 LTA4H (0.45) HTTKMT2AMEN1NPC1NSD2

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-9890187-B2 Prototype systems of theranostic biomarkers for in vivo molecular management of cancer EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD. (CY) 2018-02-13 US disclosed