SCHEMBL3881541

SCHEMBL3881541

O=S(=O)([O-])c1ccc(F)cc1F.Oc1ccc([S+]2CCCC2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.37
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
COMT P21964 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
POLB P06746 1/20 0.32
NR4A1 P22736 1/20 0.32
HTR6 P50406 2/20 0.31
PTGS1 P23219 1/20 0.31
PKLR P30613 1/20 0.31
GBA1 P04062 1/20 0.31
NAMPT P43490 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31

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
SCHEMBL3870651 0.80 LDHA (0.35) LDHA
SCHEMBL3872556 0.79 FABP4 (0.40) FABP4FABP5HTTGAAMEN1
Trifluoromethanesulfonic Acid SCHEMBL515598 0.78 LDHA (0.37) LDHATHRBSMN1; SMN2GAAMEN1
SCHEMBL3881583 0.78 KMT2A (0.39) LDHATHRBSMN1; SMN2POLBPKLR
Trifluoromethanesulfonic Acid SCHEMBL31168280 0.78 LDHA (0.37) LDHATHRBSMN1; SMN2GAAMEN1
SCHEMBL113203 0.75 IDO1 (0.52) LDHATHRB
SCHEMBL6566223 0.75 EP300 (0.47) LDHACOMTPOLBGAAMEN1
Hydrochloric Acid SCHEMBL667919 0.74 IDO1 (0.50) LDHATHRB
SCHEMBL3873395 0.73 PTGS1 (0.39) POLBPTGS1PKLRKMT2A
SCHEMBL516312 0.72 CA1 (0.34) LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed