SCHEMBL1934512

SCHEMBL1934512

N#C/C(=C\c1ccc([N+](=O)[O-])c(O)c1)C(=O)NCCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.75
ALDH1A1 P00352 8/20 0.75
MEN1 O00255 7/20 0.75
KMT2A Q03164 7/20 0.75
EGFR P00533 7/20 0.75
MAPK1 P28482 6/20 0.75
HPGD P15428 6/20 0.75
KDM4E B2RXH2 5/20 0.75
CYP1A2 P05177 4/20 0.75
CYP3A4 P08684 4/20 0.75
ALOX15 P16050 4/20 0.75
ALOX12 P18054 4/20 0.75
RECQL P46063 4/20 0.75
BLM P54132 4/20 0.75
HSD17B10 Q99714 4/20 0.75
TDP1 Q9NUW8 4/20 0.75
CYP2D6 P10635 3/20 0.75
GMNN O75496 3/20 0.75
ERBB2 P04626 3/20 0.75
TP53 P04637 3/20 0.75

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
SCHEMBL5362194 0.94 EGFR (0.76) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL5362185 0.94 EGFR (0.76) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL5362191 0.94 EGFR (0.76) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL7378564 0.86 EGFR (1.00) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL1934540 0.84 MAPT (0.65) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL645291 0.80 EGFR (1.00) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL29378814 0.80 EGFR (1.00) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL645290 0.80 EGFR (1.00) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL6055311 0.79 EGFR (1.00) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL29376415 0.79 EGFR (1.00) MAPTALDH1A1MEN1KMT2AEGFR

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