SCHEMBL9861791

SCHEMBL9861791

O=S(=S)(OCc1ccccc1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.53
CA9 Q16790 6/20 0.53
CA1 P00915 5/20 0.53
KMT2A Q03164 1/20 0.52
PPARG P37231 1/20 0.45
CA12 O43570 2/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
AR P10275 5/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
STS P08842 1/20 0.41
MGLL Q99685 1/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL28246768 0.86 CA2 (0.63) CA2CA9CA1KMT2ACA12
SCHEMBL17627918 0.80 CA2 (0.58) CA2CA9CA1KMT2APPARG
SCHEMBL8374307 0.79 CA2 (0.55) CA2CA9CA1CA12CA4
SCHEMBL9861122 0.79 CA2 (0.55) CA2CA9CA1KMT2ACA12
SCHEMBL11503545 0.79 CA2 (0.55) CA2CA9CA1KMT2APPARG
SCHEMBL6212518 0.77 CA2 (0.49) CA2CA9CA1PPARGCA12
SCHEMBL5078811 0.75 CA2 (0.59) CA2CA9CA1KMT2ACA12
SCHEMBL5467517 0.75 CA2 (0.59) CA2CA9CA1CA12CA4
Sulfuric Acid SCHEMBL28148406 0.74 CA2 (0.45) CA2CA9CA1PPARGCA12
SCHEMBL28624040 0.73 CA2 (0.68) CA2CA9CA1KMT2ACA12

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 1 patent. 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