SCHEMBL7780016

SCHEMBL7780016

CCN(CC)c1ccc(NOC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 9/20 0.48
MAPK1 P28482 3/20 0.48
GFER P55789 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GHSR Q92847 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
TERT O14746 1/20 0.40

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
SCHEMBL11206320 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTMAPK1GFER
SCHEMBL5437784 0.81 MAPT (0.53) ALDH1A1L3MBTL1MAPTMAPK1GFER
SCHEMBL10705726 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTMAPK1GFER
SCHEMBL10828144 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTMAPK1GFER
SCHEMBL14065110 0.75 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTMAPK1GFER
SCHEMBL11325168 0.75 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTMAPK1GFER
SCHEMBL29035772 0.74 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTMAPK1GFER
SCHEMBL21209062 0.74 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTMAPK1GFER
SCHEMBL10486146 0.74 FGFR1 (0.59) ALDH1A1L3MBTL1MAPK1LMNAMEN1
SCHEMBL8014237 0.74 S100B (0.59) ALDH1A1L3MBTL1MAPTMAPK1GFER

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-1131674-A1 COLOUR PHOTOGRAPHIC MATERIAL Ciba SC Holding AG (CH) 2001-09-12 EP disclosed
WO-2000023849-A1 COLOUR PHOTOGRAPHIC MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-04-27 WO disclosed