SCHEMBL2322196

SCHEMBL2322196

O=[C]c1ccc(-c2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
MAPK1 P28482 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
APAF1 O14727 1/20 0.50
SLC9A1 P19634 1/20 0.50
PKM P14618 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.48
PRMT5 O14744 1/20 0.48
BLM P54132 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL3292065 0.86 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL3400235 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL2350940 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL6731238 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL6731240 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL622199 0.76 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL2322204 0.74 KMT2A (0.61) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL16924614 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL623536 0.73 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL16316318 0.73 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1MAPK1

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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed