SCHEMBL9861388

SCHEMBL9861388

O=S([O-])(=S)OCCOc1ccc(Br)cc1.O=S([O-])(=S)OCCOc1ccc(Br)cc1.[Ni+2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
GPR84 Q9NQS5 1/20 0.40
MAOB P27338 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
MAOA P21397 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL9860979 0.97 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL9860916 0.79 KCNA3 (0.47) CA1CA2CA9CA12CA7
SCHEMBL1751861 0.77 KDM4E (0.45) CA1CA2CA9CA12CA7
SCHEMBL9451265 0.77 CA1 (0.55) CA1CA2CA9CA12CA7
SCHEMBL6557649 0.75 MAOB (0.57) MAOBMEN1KMT2AALDH1A1KDM4E
SCHEMBL9860989 0.75 KDM4E (0.46) CA1CA2CA9CA12CA7
SCHEMBL9860965 0.75 KDM4E (0.43) CA1CA2CA9CA12CA7
SCHEMBL28617028 0.74 CA2 (0.73) CA1CA2CA9CA12CA7
SCHEMBL14031270 0.71 TSHR (0.58) MAOBMEN1KMT2AALDH1A1KDM4E
SCHEMBL20128984 0.71 CA12 (0.54) CA1CA2CA9CA12CA7

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