SCHEMBL8640577

SCHEMBL8640577

NC=CCS(=O)(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
KEAP1 Q14145 3/20 0.44
IL1RN P18510 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
NR3C2 P08235 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
PGR P06401 1/20 0.39
AR P10275 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
POLB P06746 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 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
SCHEMBL14127844 0.79 CA1 (0.54) CA1CA2KEAP1IL1RNERAP1
SCHEMBL321565 0.77 KEAP1 (0.47) CA1CA2KEAP1IL1RNERAP1
SCHEMBL27931733 0.76 CA2 (0.44) CA1CA2KEAP1IL1RNERAP1
SCHEMBL3923476 0.74 CA1 (0.58) CA1CA2KEAP1IL1RNERAP1
SCHEMBL15672897 0.73 CA2 (0.56) CA1CA2KEAP1IL1RNERAP1
SCHEMBL6533144 0.73 CA1 (0.56) CA1CA2KEAP1IL1RNERAP1
SCHEMBL10443735 0.71 CA2 (0.54) CA1CA2KEAP1IL1RNERAP1
SCHEMBL1972989 0.71 HPGD (0.67) CA1CA2KEAP1IL1RNERAP1
SCHEMBL9807346 0.71 CA1 (0.50) CA1CA2KEAP1IL1RNERAP1
SCHEMBL3763304 0.71 CA1 (0.54) CA1CA2KEAP1IL1RNERAP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10036694-A None JP disclosed
JP-9235481-A None JP disclosed
JP-H1036694-A MONOAZO COMPOUND AND METHOD FOR DYEING OR PRINTING HYDROPHOBIC FIBER THEREWITH SUMITOMO CHEM CO LTD 1998-02-10 JP disclosed
JP-H09235481-A MONOAZO COMPOUND AND METHOD FOR DYEING OR PRINTING HYDROPHOBIC FIBER USING THE SAME SUMITOMO CHEM CO LTD 1997-09-09 JP disclosed