SCHEMBL546740

SCHEMBL546740

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(F)cc2)cc1.O=C(OCCCCCCBr)C(F)(F)S(=O)(=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
PAX8 Q06710 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
FKBP1A P62942 1/20 0.34
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 4/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL546393 0.96 TDP1 (0.36) KMT2APAX8TDP1GAAL3MBTL1
SCHEMBL546512 0.95 PTPN1 (0.33) KMT2ATDP1
SCHEMBL546561 0.95 PTPN1 (0.33) KMT2ATDP1
SCHEMBL546711 0.92 TDP1 (0.35) KMT2ATDP1FKBP1AGAAALDH1A1
SCHEMBL546311 0.92 TDP1 (0.35) KMT2ATDP1FKBP1AGAAALDH1A1
SCHEMBL547408 0.91 TDP1 (0.35) KMT2ATDP1L3MBTL1
SCHEMBL546322 0.91 TDP1 (0.35) KMT2ATDP1L3MBTL1
SCHEMBL546350 0.91 TDP1 (0.35) KMT2ATDP1L3MBTL1
SCHEMBL546857 0.91 TDP1 (0.35) KMT2ATDP1L3MBTL1
SCHEMBL547199 0.91 TDP1 (0.35) KMT2ATDP1L3MBTL1

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