SCHEMBL9861379

SCHEMBL9861379

Cc1ccc(-c2ccc(COS(=O)(O)=S)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA1 P00915 1/20 0.56
AGXT P21549 2/20 0.46
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NAAA Q02083 2/20 0.38
MAOB P27338 1/20 0.38
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MMP12 P39900 2/20 0.36
MMP2 P08253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL9861023 0.95 CA2 (0.61) CA2CA9CA1AGXTNPC1
SCHEMBL10501977 0.85 CA2 (0.54) CA2CA9CA1AGXTKMT2A
SCHEMBL14125769 0.80 CA2 (0.61) CA2CA9CA1AGXTNPC1
SCHEMBL9861765 0.80 CA2 (0.45) CA2CA9CA1NPC1RAB9A
SCHEMBL19669618 0.80 CA2 (0.66) CA2CA9CA1AGXTNPC1
SCHEMBL9861407 0.77 CA2 (0.46) CA2CA9CA1NAAAALDH1A1
SCHEMBL9861747 0.77 IDO1 (0.53) AGXTNPC1RAB9AALDH1A1GAA
SCHEMBL10857014 0.77 PARP10 (0.39) CA2CA9CA1PARP10ALDH1A1
SCHEMBL10859327 0.77 IDO1 (0.50) CA2CA9CA1AGXTMAOB
SCHEMBL9860969 0.76 NR4A2 (0.45) CA2CA9NPC1RAB9ALMNA

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