SCHEMBL6870834

SCHEMBL6870834

[CH2]S(=O)(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
HDAC6 Q9UBN7 12/20 0.33
HDAC8 Q9BY41 7/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL4453156 0.78 CA1 (0.39) CA12CA1CA2CA7CA13
SCHEMBL29571087 0.78 CA1 (0.39) CA12CA1CA2CA7CA13
SCHEMBL29671274 0.76 CA12 (0.38) CA12CA1CA2CA7CA13
SCHEMBL6871891 0.76 LMNA (0.40) CA12CA1CA2CES2CES1
SCHEMBL29671276 0.76 CA1 (0.54) CA12CA1CA2CA7CA13
SCHEMBL7245664 0.76 CA12 (0.38) CA12CA1CA2CA7CA13
SCHEMBL4581458 0.76 CA1 (0.54) CA12CA1CA2CA7CA13
SCHEMBL1535900 0.76 CA12 (0.38) CA12CA1CA2CA7CA13
SCHEMBL5865794 0.73 CA12 (0.35) CA12CA1CA2CA7CA13
SCHEMBL6272297 0.73 CA1 (0.35) CA12CA1CA2CA7CA13

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
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed