SCHEMBL1934540

SCHEMBL1934540

N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.65
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 6/20 0.65
TDP1 Q9NUW8 4/20 0.65
HPGD P15428 4/20 0.65
MAPK1 P28482 4/20 0.65
EGFR P00533 4/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2D6 P10635 3/20 0.65
ALOX15 P16050 3/20 0.65
ALOX12 P18054 3/20 0.65
RECQL P46063 3/20 0.65
BLM P54132 3/20 0.65
HSD17B10 Q99714 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
GMNN O75496 2/20 0.65
ERBB2 P04626 2/20 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
SCHEMBL1317172 0.88 LMNA (0.74) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1317168 0.88 LMNA (0.74) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1934512 0.84 MAPT (0.75) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11939487 0.83 EGFR (0.66) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11448646 0.80 CA12 (0.73) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11448647 0.80 CA12 (0.73) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7378564 0.79 EGFR (1.00) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7374065 0.78 EGFR (0.77) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5362191 0.78 EGFR (0.76) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5362185 0.78 EGFR (0.76) MAPTMEN1KMT2AKDM4EALDH1A1

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-2506852-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION Board Of Regents, The University Of Texas System (US) 2012-10-10 EP disclosed
WO-2011069141-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-09 WO disclosed