SCHEMBL5002072

SCHEMBL5002072

O=S(=O)(OS1(c2ccc3cc(OCC4CCCCC4)ccc3c2)CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.39
PARP15 Q460N3 6/20 0.39
PDK2 Q15119 2/20 0.36
PTGS2 P35354 3/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33

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
SCHEMBL4997137 0.99 PARP10 (0.38) PARP10PARP15PDK2PTGS2MAOA
SCHEMBL4990177 0.85 ABL1 (0.34) PDK2PTGS2MAOAMAOBPTGS1
SCHEMBL5002150 0.84 CA1 (0.31)
SCHEMBL4991069 0.84 ABL1 (0.33) PDK2PTGS2MAOBPTGS1
SCHEMBL4996612 0.84 MCHR1 (0.32)
SCHEMBL446602 0.83 CA1 (0.38) PTGS2PTGS1
SCHEMBL445117 0.82 CA1 (0.39) PTGS2PTGS1
SCHEMBL4995783 0.82 BACE1 (0.32)
SCHEMBL4996700 0.82 CA1 (0.37) PDK2
SCHEMBL5002059 0.81 KMT2A (0.38) PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371503-B2 Sulfonium salt compound, photoacid generator, and positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-05-13 US disclosed
US-20060141383-A1 Sulfonium salts, radiation- sensitive acid generators, and positive radiator-sensitive resin compositions JSR CORPORATION (JP) 2006-06-29 US disclosed
EP-1586570-A1 SULFONIUM SALTS, RADIATION-SENSITIVE ACID GENERATORS, AND POSITIVE RADIATION-SENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2005-10-19 EP disclosed