SCHEMBL4442972

SCHEMBL4442972

FC(F)(F)S(F)(F)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.32
MGLL Q99685 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL7863060 0.73 CA12 (0.54) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL526119 0.73 CA12 (0.52) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL26560789 0.70 CA12 (0.50) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL20470599 0.70 CA12 (0.50) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL108245 0.69 CA12 (0.62) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL27652381 0.67 CA12 (0.46) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL12256399 0.65 CA12 (0.50) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL38665567 0.65 CA12 (0.44) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL8713877 0.64 CA12 (0.48) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL7910212 0.64 CA12 (0.48) CA12CA7CA14TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114874-A2 METHOD FOR PREPARING FLUORINATED SULPHANYLAMIDES AND SULPHINAMIDINES AND USES THEREOF Aventis Pharma S.A. (FR) 2009-11-11 EP disclosed
WO-2008110698-A2 METHOD FOR PREPARING FLUORINATED SULPHANYLAMIDES AND SULPHINAMIDINES AND USES THEREOF AVENTIS PHARMA S.A. (FR) 2008-09-18 WO disclosed