SCHEMBL546789

SCHEMBL546789

Clc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCCCCl)C(F)(F)S(=O)(=O)[O-].O=C(OCCCCCl)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
PTGES O14684 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TP53 P04637 1/20 0.31
BCHE P06276 2/20 0.31
HSD11B1 P28845 1/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
FKBP1A P62942 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
SCHEMBL547029 0.94 TDP1 (0.37) TDP1MEN1KMT2AHDAC1HDAC2
SCHEMBL546505 0.93 TDP1 (0.36) TDP1MEN1KMT2AHDAC1HDAC2
SCHEMBL547318 0.93 TDP1 (0.36) TDP1MEN1KMT2AHDAC1HDAC2
SCHEMBL546806 0.93 TDP1 (0.36) TDP1MEN1KMT2AHDAC1HDAC2
SCHEMBL546388 0.91 TDP1 (0.33) TDP1KMT2AHDAC1HDAC2BCHE
SCHEMBL546521 0.90 HDAC1 (0.33) TDP1KMT2AHDAC1HDAC2BCHE
SCHEMBL547330 0.90 HDAC1 (0.33) TDP1KMT2AHDAC1HDAC2BCHE
SCHEMBL546844 0.90 HDAC1 (0.33) TDP1KMT2AHDAC1HDAC2BCHE
SCHEMBL546788 0.90 TDP1 (0.34) CPT1ATDP1MEN1KMT2AL3MBTL1
SCHEMBL546410 0.89 KMT2A (0.33) TDP1MEN1KMT2AL3MBTL1HDAC1

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