SCHEMBL9054780

SCHEMBL9054780

S=C(C(=S)c1ccc(C2CCCCC2)cc1)c1ccccc1.S=C(C(=S)c1ccc(C2CCCCC2)cc1)c1ccccc1.[Ni]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.47
KMO O15229 1/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
SLC18A3 Q16572 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
DEGS1 O15121 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.40
FFAR2 O15552 1/20 0.40
SLC6A7 Q99884 1/20 0.40
MGLL Q99685 1/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL507052 0.85 HAO1 (0.53) HAO1KMOHDAC8HDAC6HDAC1
SCHEMBL12813898 0.85 HAO1 (0.53) HAO1KMOHDAC8HDAC6HDAC1
SCHEMBL17047325 0.83 KMO (0.51) HAO1KMOHDAC8HDAC6HDAC1
SCHEMBL10604228 0.80 HAO1 (0.49) HAO1KMOHDAC8HDAC6HDAC1
SCHEMBL11218828 0.80 KMO (0.57) HAO1KMOHDAC8HDAC6HDAC1
Hydrogen Peroxide SCHEMBL11586135 0.78 SLC18A3 (0.61) KMOSLC18A3ALDH1A1CYP2D6CYP1A2
Hydrogen Peroxide SCHEMBL9997756 0.78 SLC18A3 (0.61) KMOSLC18A3ALDH1A1CYP2D6CYP1A2
Hydrogen Peroxide SCHEMBL42934 0.78 SLC18A3 (0.61) KMOSLC18A3ALDH1A1CYP2D6CYP1A2
Hydrogen Peroxide SCHEMBL2352896 0.78 SLC18A3 (0.61) KMOSLC18A3ALDH1A1CYP2D6CYP1A2
Hydrogen Peroxide SCHEMBL5901852 0.78 SLC18A3 (0.61) KMOSLC18A3ALDH1A1CYP2D6CYP1A2

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