SCHEMBL10180038

SCHEMBL10180038

CCCc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.58
PTPRZ1 P23471 1/20 0.54
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
FFAR4 Q5NUL3 1/20 0.45
KIF11 P52732 1/20 0.45
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.43
CA1 P00915 2/20 0.42
CNR2 P34972 1/20 0.42
HSD11B1 P28845 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
F2 P00734 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10181226 0.89 CA2 (0.61) CA2PTPRZ1LMNASMN1; SMN2FFAR4
SCHEMBL6001716 0.88 PTPRZ1 (0.61) CA2PTPRZ1LMNASMN1; SMN2KIF11
SCHEMBL10181461 0.84 PTPRZ1 (0.58) CA2PTPRZ1LMNASMN1; SMN2FFAR4
SCHEMBL10181579 0.84 CA2 (0.53) CA2PTPRZ1LMNASMN1; SMN2FFAR4
SCHEMBL16186194 0.82 CA2 (0.60) CA2LMNASMN1; SMN2FFAR4HTT
SCHEMBL14310620 0.81 F2 (0.63) CA2PTPRZ1LMNASMN1; SMN2KIF11
SCHEMBL10181753 0.79 LMNA (0.47) CA2PTPRZ1LMNASMN1; SMN2HTT
SCHEMBL10181581 0.78 CA2 (0.55) CA2LMNASMN1; SMN2FFAR4HTT
SCHEMBL427617 0.78 CA2 (0.64) CA2LMNASMN1; SMN2FFAR4HTT
SCHEMBL7050691 0.78 PTPRZ1 (0.59) CA2PTPRZ1LMNASMN1; SMN2KIF11

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-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed