SCHEMBL8009645

SCHEMBL8009645

CC(=O)Nc1ccc(S([O])(=O)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.69
CA2 P00918 4/20 0.69
CA12 O43570 3/20 0.69
CA9 Q16790 3/20 0.69
MMP1 P03956 1/20 0.67
MMP2 P08253 1/20 0.67
MMP9 P14780 1/20 0.67
MMP8 P22894 1/20 0.67
MMP13 P45452 1/20 0.67
PKM P14618 2/20 0.65
POLB P06746 2/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.59
F2 P00734 1/20 0.59

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
Acedapsone SCHEMBL152710 0.85 PKM (0.85) CA1CA2CA12CA9MMP1
SCHEMBL1102016 0.83 CA1 (0.69) CA1CA2CA12CA9MMP1
Acedapsone SCHEMBL22518385 0.83 PKM (0.82) CA1CA2CA12CA9MMP1
Acedapsone SCHEMBL28716352 0.83 PKM (0.82) CA1CA2CA12CA9MMP1
SCHEMBL756792 0.83 CA1 (0.69) CA1CA2CA12CA9MMP1
SCHEMBL861674 0.82 SMN1; SMN2 (0.84) CA1CA2CA12CA9POLB
SCHEMBL12916667 0.82 CA1 (0.67) CA1CA2CA12CA9MMP1
SCHEMBL8389551 0.82 CA1 (0.67) CA1CA2CA12CA9MMP1
SCHEMBL11883912 0.82 POLB (0.69) CA1CA2CA12CA9MMP1
SCHEMBL58191 0.82 CA1 (0.67) CA1CA2CA12CA9MMP1

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
US-6107299-A INSECTICIDES; MITICIDES HOECHST SCHERING AGREVO GMBH (DE) 2000-08-22 US disclosed