SCHEMBL9861073

SCHEMBL9861073

O=S(O)(=S)OCCCCCCOc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.51
KDM4E B2RXH2 2/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
KCNH2 Q12809 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47

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
SCHEMBL9861153 0.82 KCNA3 (0.57)
SCHEMBL9861788 0.82 KCNA3 (0.57)
SCHEMBL11096493 0.81 KDM4E (0.54) HRH3KDM4EDRD2DRD4KCNH2
SCHEMBL9861510 0.80 KCNA3 (0.59) DRD2DRD4
SCHEMBL11266330 0.80 KMT2A (0.52) HRH3KDM4EDRD2DRD4KCNH2
SCHEMBL10572340 0.80 KDM4E (0.55) HRH3KDM4EDRD2DRD4KCNH2
SCHEMBL8955728 0.79 HRH3 (0.57) HRH3KDM4EDRD2DRD4KCNH2
SCHEMBL8778541 0.79 HRH3 (0.57) HRH3KDM4EDRD2DRD4KCNH2
SCHEMBL28540629 0.79 HRH3 (0.57) HRH3KDM4EDRD2DRD4KCNH2
SCHEMBL15887765 0.79 KDM4E (0.58) HRH3KDM4EKCNH2KMT2AFFAR1

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-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP disclosed