SCHEMBL546322

SCHEMBL546322

Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCCCCCCCCCCCCBr)C(F)(F)S(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 2/20 0.32
BCHE P06276 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PTPN1 P18031 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGS2 P35354 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL547199 1.00 TDP1 (0.35) TDP1HSD11B1BCHEPPARGPPARA
SCHEMBL546318 1.00 TDP1 (0.35) TDP1HSD11B1BCHEPPARGPPARA
SCHEMBL546857 1.00 TDP1 (0.35) TDP1HSD11B1BCHEPPARGPPARA
SCHEMBL547408 1.00 TDP1 (0.35) TDP1HSD11B1BCHEPPARGPPARA
SCHEMBL546754 1.00 TDP1 (0.35) TDP1HSD11B1BCHEPPARGPPARA
SCHEMBL546350 1.00 TDP1 (0.35) TDP1HSD11B1BCHEPPARGPPARA
SCHEMBL546512 0.96 PTPN1 (0.33) TDP1PTPN1NPC1KMT2A
SCHEMBL546561 0.96 PTPN1 (0.33) TDP1PTPN1NPC1KMT2A
SCHEMBL547443 0.94 TDP1 (0.39) TDP1HDAC1HDAC2KMT2A
SCHEMBL546826 0.94 TDP1 (0.39) TDP1HDAC1HDAC2KMT2A

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