SCHEMBL5332370

SCHEMBL5332370

COC(=O)c1ccc(Cl)cc1S(=O)(=O)S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.57
NR4A2 P43354 2/20 0.47
FLT1 P17948 3/20 0.46
FLT4 P35916 3/20 0.46
KDR P35968 3/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA5A P35218 1/20 0.45
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5452555 0.85 ABL1 (0.58) ABL1NR4A2FLT1FLT4KDR
SCHEMBL21962924 0.84 CA2 (0.61) ABL1NR4A2FLT1FLT4KDR
SCHEMBL11334105 0.78 ABL1 (0.50) ABL1NR4A2FLT1FLT4KDR
SCHEMBL6100118 0.77 ABL1 (0.70) ABL1NR4A2FLT1FLT4KDR
SCHEMBL4071409 0.76 ABL1 (0.64) ABL1NR4A2FLT1FLT4KDR
SCHEMBL21962911 0.76 ABL1 (0.48) ABL1NR4A2FLT1FLT4KDR
SCHEMBL8627703 0.76 ABL1 (0.48) ABL1NR4A2FLT1FLT4KDR
SCHEMBL608814 0.75 ABL1 (0.68) ABL1NR4A2FLT1FLT4KDR
SCHEMBL1017485 0.75 ABL1 (0.54) ABL1NR4A2FLT1FLT4KDR
SCHEMBL17078006 0.75 TRPV4 (0.56) ABL1NR4A2FLT1FLT4KDR

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
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed