SCHEMBL15917497

SCHEMBL15917497

O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.80
KMT2A Q03164 5/20 0.80
LMNA P02545 4/20 0.80
NPSR1 Q6W5P4 3/20 0.80
DUSP3 P51452 2/20 0.80
PTPN5 P54829 2/20 0.80
PTPN11 Q06124 2/20 0.80
MEN1 O00255 4/20 0.78
RAB9A P51151 3/20 0.78
SENP1 Q9P0U3 1/20 0.74
RAD52 P43351 1/20 0.70
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ALDH1A1 P00352 3/20 0.67
POLB P06746 3/20 0.65
KDM4E B2RXH2 1/20 0.65
AGTR1 P30556 1/20 0.65
OPRK1 P41145 1/20 0.65
HTT P42858 1/20 0.65

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
SCHEMBL15917496 1.00 MAPT (0.80) MAPTKMT2ALMNANPSR1DUSP3
SCHEMBL12443119 0.89 MAPT (1.00) MAPTKMT2ALMNANPSR1DUSP3
SCHEMBL28512241 0.86 MAPT (0.84) MAPTKMT2ALMNANPSR1DUSP3
SCHEMBL14581351 0.86 MAPT (0.67) MAPTKMT2ALMNANPSR1DUSP3
SCHEMBL27916039 0.86 MAPT (0.73) MAPTKMT2ALMNANPSR1DUSP3
SCHEMBL31005085 0.85 IKBKB (0.73) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL8767795 0.84 HDAC3 (0.72) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL28510033 0.83 NOX4 (0.79) MAPTKMT2ALMNANPSR1DUSP3
SCHEMBL8298517 0.83 NOX4 (0.79) MAPTKMT2ALMNANPSR1DUSP3
SCHEMBL13401672 0.83 POLB (0.69) MAPTKMT2ALMNANPSR1DUSP3

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-20140221429-A1 HETEROCYCLIC SCHIFF'S BASES AS NOVEL AND NEW ANTIGLYCATION AGENTS AL-RESAYES SAUD IBRAHIM (SA) 2014-08-07 US disclosed