SCHEMBL11330348

SCHEMBL11330348

O=S(=O)(Nc1ccc(Cl)cc1Cl)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.67
PTGS1 P23219 7/20 0.56
PTGS2 P35354 6/20 0.56
MCL1 Q07820 2/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
CA1 P00915 4/20 0.51
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
KIF11 P52732 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL24435805 0.82 MCL1 (0.60) CA2PTGS1PTGS2MCL1HPGD
SCHEMBL4976180 0.82 PTGS1 (0.73) CA2PTGS1PTGS2HPGDCA1
SCHEMBL10626660 0.81 CA2 (0.75) CA2PTGS1PTGS2CA1PDK1
SCHEMBL2079574 0.80 CA2 (0.49) CA2PTGS1PTGS2CA1
SCHEMBL4303918 0.79 CA2 (0.60) CA2PTGS1PTGS2MCL1CA1
SCHEMBL6001650 0.79 PTGS1 (0.67) CA2PTGS1PTGS2
SCHEMBL10934176 0.78 PTGS1 (0.64) CA2PTGS1PTGS2MCL1TSHR
SCHEMBL2080327 0.78 CA2 (0.47) CA2PTGS1PTGS2CA1
SCHEMBL6000979 0.78 CA2 (0.51) CA2PTGS1PTGS2MCL1HPGD
SCHEMBL4968060 0.77 PTGS1 (0.50) CA2PTGS1PTGS2CA1

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
EP-0010844-B1 NOVEL N,N'-BIS(TRIFLUOROMETHYLSULFONYL)OXAMIDES, CHEMILUMINESCENT COMPOSITIONS CONTAINING THEM AND PROCESSES FOR GENERATING CHEMILUMINESCENCE EMPLOYING SAID COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1981-10-07 EP disclosed
US-4288592-A Process for preparing amides by reaction in presence of molecular sieve AMERICAN CYANAMID COMPANY (US) 1981-09-08 US disclosed
US-4226738-A SUPERIOR LIGHT INTENSITY, QUANTUM EFFICIENT, AND LONG-LASTING AMERICAN CYANAMID COMPANY (US) 1980-10-07 US disclosed
EP-0010844-A1 Novel N,N'-bis(trifluoromethylsulfonyl)oxamides, chemiluminescent compositions containing them and processes for generating chemiluminescence employing said compositions AMERICAN CYANAMID COMPANY (US) 1980-05-14 EP disclosed