SCHEMBL9057693

SCHEMBL9057693

COc1ccc(OC)c(C(=S)C(=S)c2ccccc2)c1.COc1ccc(OC)c(C(=S)C(=S)c2ccccc2)c1.[Ni]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 7/20 0.50
HSD11B1 P28845 1/20 0.47
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
KLF5 Q13887 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 4/20 0.45
RAD52 P43351 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL9055034 0.79 CES2 (0.62) MAPTHTTALDH1A1RAB9AMEN1
SCHEMBL6575931 0.78 MAPT (0.58) MAPTHTTNPSR1ALDH1A1HSD11B1
SCHEMBL4319151 0.78 MAPT (0.54) MAPTHTTNPSR1ALDH1A1HSD11B1
SCHEMBL4222291 0.78 MAPT (0.84) MAPTHTTNPSR1ALDH1A1HSD11B1
SCHEMBL30441438 0.74 ALDH1A1 (0.76) MAPTHTTNPSR1ALDH1A1MEN1
SCHEMBL6897265 0.74 ALDH1A1 (0.76) MAPTHTTNPSR1ALDH1A1MEN1
SCHEMBL1918224 0.73 MAPT (0.56) MAPTHTTNPSR1ALDH1A1HSD11B1
SCHEMBL344488 0.73 MAPT (0.43) MAPTHTTNPSR1ALDH1A1RAB9A
SCHEMBL1156566 0.71 CES2 (0.56) MAPTNPSR1ALDH1A1RAB9ANPC1
SCHEMBL6934579 0.71 CES2 (0.56) MAPTNPSR1ALDH1A1RAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP claimed
EP-0564282-B1 Bis-dithiobenzilnickel complexes for use in near-infrared absorbing materials and benzoin derivatives as intermediates therefor JUJO PAPER CO LTD (JP) 1996-07-03 EP disclosed
US-5484689-A SUBSTRATE WITH OPTICAL RECORDING LAYER AND COLORLESSS DYE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-01-16 US disclosed
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP disclosed