SCHEMBL9860965

SCHEMBL9860965

O=S(O)(=S)OCCCOc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.39
LSS P48449 1/20 0.39
PTPN1 P18031 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
SCHEMBL9860989 0.97 KDM4E (0.46) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL9861089 0.82 KCNA3 (0.54) ALDH1A1DRD4DRD2DRD3L3MBTL1
SCHEMBL22749055 0.81 KDM4E (0.48) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL18235025 0.79 DRD4 (0.57) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL9861510 0.79 KCNA3 (0.59) ALDH1A1DRD4DRD2DRD3L3MBTL1
SCHEMBL9861153 0.77 KCNA3 (0.57) ALDH1A1L3MBTL1
SCHEMBL9861788 0.77 KCNA3 (0.57) ALDH1A1L3MBTL1
SCHEMBL9860979 0.75 CA1 (0.43) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL9861388 0.75 CA1 (0.43) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL17445905 0.74 ATM (0.60) KDM4EALDH1A1DRD4DRD2DRD3

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