SCHEMBL11558570

SCHEMBL11558570

C=C(Cl)CN(CCC)S(=O)(=O)c1nc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
ABCC2 Q92887 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
UGT1A7 Q9HAW7 1/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11564223 0.84 NPSR1 (0.42) CA12CA2CA9CA1NPSR1
SCHEMBL11564054 0.82 SMN1; SMN2 (0.42) CA12CA2CA9CA1NPSR1
SCHEMBL11564624 0.82 NPSR1 (0.37) CA12CA2CA9CA1NPSR1
SCHEMBL11565639 0.81 SMN1; SMN2 (0.38) CA12CA2CA9CA1NPSR1
SCHEMBL11558400 0.80 SMN1; SMN2 (0.37) CA12CA2CA9CA1NPSR1
SCHEMBL11556664 0.79 SMN1; SMN2 (0.43) CA12CA2CA9NPSR1ALDH1A1
SCHEMBL11563834 0.78 POLB (0.40) CA12CA2CA9CA1NPSR1
SCHEMBL11556702 0.77 CYP1A2 (0.37) CA12CA2CA9CA1NPSR1
SCHEMBL11556631 0.76 TSHR (0.45) ALDH1A1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL11564222 0.76 NPSR1 (0.33) CA12CA2CA9CA1NPSR1

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-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 US disclosed