SCHEMBL546313

SCHEMBL546313

Cc1ccccc1[S+](c1ccccc1)c1ccccc1.O=C(OCCCCCCCCCCCCBr)C(F)(F)S(=O)(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
HTT P42858 2/20 0.30
TSHR P16473 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CHRM4 P08173 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL546713 1.00 TDP1 (0.34) TDP1CHRM2CHRM1CHRM3KMT2A
SCHEMBL546395 0.94 TDP1 (0.34) TDP1CHRM2CHRM1CHRM3KMT2A
SCHEMBL546742 0.91
SCHEMBL547443 0.90 TDP1 (0.39) TDP1CHRM2CHRM1CHRM3KMT2A
SCHEMBL546301 0.90 TDP1 (0.39) TDP1CHRM2CHRM1CHRM3KMT2A
SCHEMBL546330 0.90 TDP1 (0.39) TDP1CHRM2CHRM1CHRM3KMT2A
SCHEMBL546826 0.90 TDP1 (0.39) TDP1CHRM2CHRM1CHRM3KMT2A
SCHEMBL546870 0.90 TDP1 (0.39) TDP1CHRM2CHRM1CHRM3KMT2A
SCHEMBL2183095 0.90 TDP1 (0.39) TDP1CHRM2CHRM1CHRM3KMT2A
SCHEMBL546412 0.90 HDAC1 (0.32) TDP1KMT2AMEN1HTTTSHR

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