SCHEMBL19003239

SCHEMBL19003239

CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.81
MEN1 O00255 12/20 0.81
KMT2A Q03164 12/20 0.81
LMNA P02545 8/20 0.81
HTT P42858 6/20 0.81
NPC1 O15118 5/20 0.81
SMN1; SMN2 Q16637 10/20 0.69
RAB9A P51151 8/20 0.69
MITF O75030 7/20 0.69
TP53 P04637 2/20 0.67
XBP1 P17861 1/20 0.63
TLR9 Q9NR96 1/20 0.63
PAX8 Q06710 1/20 0.61
ALDH1A1 P00352 8/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALOX12 P18054 2/20 0.46
HSP90AA1 P07900 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL3484460 0.87 MAPT (0.77) MAPTMEN1KMT2ALMNAHTT
SCHEMBL3484458 0.87 MAPT (0.77) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19003455 0.87 MAPT (0.77) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19003457 0.84 MAPT (0.72) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19003234 0.82 MAPT (0.69) MAPTMEN1KMT2ALMNAHTT
SCHEMBL13113131 0.80 MAPT (0.64) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19003465 0.79 MAPT (0.65) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19003250 0.79 MAPT (0.51) MAPTMEN1KMT2ALMNAHTT
SCHEMBL29530846 0.76 MAPT (0.75) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19003275 0.75 KMT2A (0.48) MAPTMEN1KMT2ALMNAHTT

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-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed