SCHEMBL11706607

SCHEMBL11706607

O=S(=O)(NCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.69
CA1 P00915 16/20 0.69
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
KEAP1 Q14145 1/20 0.46
MMP1 P03956 6/20 0.45
MMP2 P08253 6/20 0.45
MMP9 P14780 6/20 0.45
MMP8 P22894 6/20 0.45
MMP13 P45452 6/20 0.45
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5377412 1.00 CA2 (0.69) CA2CA1CA12CA7CA14
SCHEMBL11348996 0.98 CA2 (0.68) CA2CA1CA12CA7CA14
SCHEMBL19042371 0.93 CA2 (0.61) CA2CA1CA12CA7CA14
SCHEMBL19042364 0.86 CA2 (0.57) CA2CA1CA12CA7CA14
SCHEMBL18572519 0.84 CA2 (0.51) CA2CA1CA12CA7CA14
SCHEMBL16417753 0.83 CA2 (0.50) CA2CA1CA12CA7CA14
SCHEMBL138364 0.79 CA2 (0.64) CA2CA1CA12CA7CA14
SCHEMBL2988092 0.77 KEAP1 (0.54) CA2CA1CA12CA7CA14
SCHEMBL18572510 0.77 CA2 (0.50) CA2CA1CA12CA7CA14
SCHEMBL12256400 0.76 CA12 (0.57) CA2CA1CA12CA7CA14

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
US-4041003-A Process for molding aromatic polycarbonates having perfluoroalkanesulphonic acid derivatives as mold release agents BAYER AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4007150-A OR CYCLIMMONIUM SALTS OF PERFLUOROALKANESULPHONIC ACIDS AS MOLD RELEASE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-08 US disclosed