SCHEMBL8540751

SCHEMBL8540751

CNNc1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
THRB P10828 1/20 0.43
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 1/20 0.41

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
SCHEMBL520467 0.87 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL11794578 0.85 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL14275089 0.84 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL20984489 0.84 HTT (0.50) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL16804932 0.83 ALDH1A1 (0.46) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL2831747 0.82 ALDH1A1 (0.54) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL10915469 0.82 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL15540491 0.82 ALDH1A1 (0.49) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL5427201 0.82 ALDH1A1 (0.49) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL15540490 0.82 ALDH1A1 (0.49) ALDH1A1TDP1LMNAMAPTL3MBTL1

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
EP-0797789-B1 NOVEL DIHYDRAZIDES AS DOT-PROMOTING AGENTS IN PHOTOGRAPHIC IMAGE SYSTEMS INT PAPER CO (US) 1998-11-25 EP disclosed