SCHEMBL9858663

SCHEMBL9858663

S=C([S-])N(c1ccccc1)N1CCNCC1.S=C([S-])N(c1ccccc1)N1CCNCC1.[Cu+2]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SIGMAR1 Q99720 4/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 1/20 0.35
ABCC1 P33527 1/20 0.35
HTR2A P28223 4/20 0.33

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
SCHEMBL5717885 0.75 SIGMAR1 (0.45) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL379431 0.74 SIGMAR1 (0.51) SIGMAR1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL5849112 0.74 SIGMAR1 (0.44) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15273036 0.72 SIGMAR1 (0.41) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17295878 0.72 OPRD1 (0.43) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL736136 0.72 SIGMAR1 (0.46) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27620685 0.72 SIGMAR1 (0.45) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4299855 0.69 SIGMAR1 (0.42) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21906494 0.68 SIGMAR1 (0.45) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28228488 0.68 SIGMAR1 (0.45) SIGMAR1HTR3EHTR3BHTR3AHTR3D

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