SCHEMBL9861394

SCHEMBL9861394

O=S(=O)(O)OSCCOc1ccc(Br)cc1.[Ni]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL9860970 0.91 ALDH1A1 (0.40) MAPTMAPK1NPSR1CA1CA2
SCHEMBL9860993 0.89 KDM4E (0.42) MAPTCA1CA2CA9CA12
SCHEMBL9861831 0.83 RAB9A (0.46) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL9860986 0.81 CA1 (0.41) MAPTMAPK1NPSR1CA1CA2
SCHEMBL9861091 0.74 KCNA3 (0.48) ALDH1A1RECQL
SCHEMBL9861514 0.73 KCNA3 (0.52) ALDH1A1RECQL
SCHEMBL9861795 0.72 KCNA3 (0.50) MAPTALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL9861157 0.72 KCNA3 (0.50) MAPTALDH1A1LMNASMN1; SMN2RECQL
Sulfamate SCHEMBL9451268 0.70 CA1 (0.49) MAPTCA1CA2CA9CA12
SCHEMBL29151586 0.70 MAPT (0.61) MAPTMAPK1CA1CA2CA9

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