SCHEMBL16619607

SCHEMBL16619607

COc1ccccc1-c1c([N+](=O)[O-])[c]ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
S100A4 P26447 2/20 0.41
PTPRC P08575 1/20 0.41
MAPK1 P28482 3/20 0.39
APP P05067 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIN1 Q13526 1/20 0.38
MEN1 O00255 1/20 0.38
S1PR1 P21453 1/20 0.38
EIF4E P06730 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL30991376 0.74 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1S100A4PTPRC
SCHEMBL13982693 0.74 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1S100A4PTPRC
SCHEMBL4091954 0.74 HTR7 (0.47) ALDH1A1TDP1L3MBTL1MAPK1APP
SCHEMBL11502537 0.74 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1S100A4PTPRC
SCHEMBL6425266 0.74 ALDH1A1 (0.72) ALDH1A1TDP1L3MBTL1S100A4PTPRC
SCHEMBL1554959 0.74 TDP1 (0.52) ALDH1A1TDP1L3MBTL1MAPK1NPC1
SCHEMBL1355833 0.72 ALDH1A1 (0.42) ALDH1A1TDP1L3MBTL1MAPK1NPC1
SCHEMBL13133450 0.71 TSHR (0.56) ALDH1A1TDP1L3MBTL1S100A4PTPRC
SCHEMBL10887956 0.70 HTT (0.45) ALDH1A1TDP1L3MBTL1MAPK1NPC1
SCHEMBL6690612 0.70 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1S100A4PTPRC

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-3052520-A2 STABILIZED POLYPEPTIDES AND USES THEREOF President and Fellows of Harvard College (US) 2016-08-10 EP disclosed
WO-2015051030-A2 STABILIZED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-09 WO disclosed