SCHEMBL9858550

SCHEMBL9858550

CN(C(=S)[S-])N1CCNCC1.CN(C(=S)[S-])N1CCNCC1.CN(C(=S)[S-])N1CCNCC1.[Fe+3]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PHGDH O43175 1/20 0.30

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
SCHEMBL9858486 0.96 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL9858259 0.96 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL9858298 0.96 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL9858555 0.96 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL9858263 0.96 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL9858304 0.96 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL9858560 0.96 CA12 (0.35) CA12CA1CA2CA9ALDH1A1
Zinc Ion SCHEMBL9858242 0.96 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL10748425 0.77 HSD17B10 (0.37) HSD17B10PHGDH
SCHEMBL3024275 0.77 PHGDH (0.31) PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184179-B1 A VULCANIZATION ACCELERATOR, A MEANS FOR ACCELERATING VULCANIZATION AND AN IMPROVED RUBBER PRODUCT CONTAINING SAID ACCELERATOR THEREIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-24 EP disclosed
US-4687756-A DITHIOCARBAMOYL GROUP CONTAINING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-18 US disclosed
EP-0184179-A1 A vulcanization accelerator, a means for accelerating vulcanization and an improved rubber product containing said accelerator therein SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-11 EP disclosed