SCHEMBL2806485

SCHEMBL2806485

CN(C)C([O-])=S.CN(C)C([O-])=S.[Ni+2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MGLL Q99685 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 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
SCHEMBL3479865 0.92 TAS2R38 (0.47) TAS2R38CA12CA1CA2CA9
SCHEMBL5461034 0.92 TAS2R38 (0.47) TAS2R38CA12CA1CA2CA9
SCHEMBL11435412 0.92 TAS2R38 (0.47) TAS2R38CA12CA1CA2CA9
SCHEMBL9248188 0.92 TAS2R38 (0.47) TAS2R38CA12CA1CA2CA9
Potassium Ion SCHEMBL11806601 0.92
Zinc Ion SCHEMBL1526237 0.92 ALDH1A1 (0.50) TAS2R38CA12CA1CA2CA9
SCHEMBL566643 0.92
SCHEMBL5901391 0.92 TAS2R38 (0.47) TAS2R38CA12CA1CA2CA9
SCHEMBL22405596 0.92 TAS2R38 (0.47) TAS2R38CA12CA1CA2CA9
SCHEMBL7772300 0.92 TAS2R38 (0.47) TAS2R38CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273273-B2 Manufacturing method for optical film KONICA MINOLTA OPTO, INC. (JP) 2012-09-25 US disclosed
US-20100239789-A1 Optical Film, Manufacturing Method for Optical Film, Polarizing Plate and Liquid Crystal Display Device KONICA MINOLTA OPTO, INC. (JP) 2010-09-23 US disclosed
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed
EP-1179435-A1 Reversible thermochromic composition having improved light-fastness and product comprising same The Pilot Ink Co., Ltd. (JP) 2002-02-13 EP disclosed
US-4251648-A CONTAINING AN UNSATURATED GLYCIDYL ETHER; AIRCRAFT AND AUTOMOTIVE USES THE B.F. GOODRICH COMPANY (US) 1981-02-17 US disclosed