SCHEMBL546933

SCHEMBL546933

O=C(OCCCCCl)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL546353 0.88 CA1 (0.36) CA1CA2TDP1MEN1TSHR
SCHEMBL547029 0.84 TDP1 (0.37) CA1CA2TDP1MEN1TSHR
SCHEMBL547318 0.83 TDP1 (0.36) CA1CA2TDP1MEN1TSHR
SCHEMBL546806 0.83 TDP1 (0.36) CA1CA2TDP1MEN1TSHR
SCHEMBL546505 0.83 TDP1 (0.36) CA1CA2TDP1MEN1TSHR
SCHEMBL546817 0.80 L3MBTL1 (0.32) TDP1MEN1TSHRHTTKMT2A
SCHEMBL546388 0.80 TDP1 (0.33) TDP1KMT2AHDAC1HDAC2
SCHEMBL546789 0.80 CPT1A (0.33) TDP1MEN1KMT2AHDAC1HDAC2
SCHEMBL547383 0.80 MEN1 (0.32) TDP1MEN1TSHRHTTKMT2A
SCHEMBL547247 0.79 TDP1 (0.38) CA1CA2TDP1MEN1TSHR

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
US-8524440-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-8110336-B2 Resin and chemically amplified resist composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-07 US disclosed
US-20110165513-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY LTD (JP) 2011-07-07 US disclosed
US-20100075257-A1 Resin and Chemically Amplified Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-25 US disclosed