SCHEMBL23395751

SCHEMBL23395751

O=S(=O)(CCc1ccccc1)Oc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
FDFT1 P37268 3/20 0.43
PGR P06401 1/20 0.42
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
MGLL Q99685 1/20 0.40
NR4A2 P43354 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
MAOB P27338 3/20 0.38

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
SCHEMBL15763948 0.79 CA1 (0.44) KMT2APPARGPPARAFDFT1PGR
SCHEMBL9833117 0.78 CA2 (0.53) KMT2APPARGPPARAPGRCA2
SCHEMBL27634844 0.77 CA1 (0.42) KMT2APPARGPPARAFDFT1PGR
SCHEMBL4138787 0.77 CA2 (0.42) KMT2APPARGPPARACA2CA12
SCHEMBL29673503 0.76 CA12 (0.54) KMT2ACA2CA12CA1MEN1
SCHEMBL22187129 0.76 CA12 (0.54) KMT2ACA2CA12CA1MEN1
SCHEMBL778981 0.75 CA1 (0.45) KMT2APPARGPPARAPGRCA2
SCHEMBL780159 0.73 CA1 (0.48) PPARGPPARAPGRCA2CA1
SCHEMBL28031302 0.72 HTT (0.49) KMT2AMEN1L3MBTL1
SCHEMBL22187340 0.72 CA2 (0.62) KMT2ACA2CA12CA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825409-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-26 EP disclosed
US-9533974-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates MICHIGAN DIAGNOSTICS, LLC (US) 2017-01-03 US disclosed