SCHEMBL5696804

SCHEMBL5696804

Cc1ccccc1C1([N+](=O)[O-])C=CC(C(=O)O)C=C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GRIN2B Q13224 2/20 0.34
HDAC4 P56524 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9141248 0.83 MAPT (0.32) NPSR1MAPT
SCHEMBL9190141 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL9683488 0.77 GRIN2B (0.40) TDP1GRIN2BHDAC4
SCHEMBL9515829 0.69 GRIN2B (0.33) L3MBTL1GRIN2BHDAC4
SCHEMBL381122 0.68
SCHEMBL5314132 0.66
SCHEMBL22227466 0.65 TMEM97 (0.31)
SCHEMBL9683566 0.65 NPSR1 (0.33) TDP1ALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL3443313 0.65 ALDH1A1 (0.39) L3MBTL1GRIN2BALDH1A1SMN1; SMN2NPC1
SCHEMBL3899635 0.64

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-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed