SCHEMBL1827768

SCHEMBL1827768

O=C(NC(C(=O)O)c1ccc(OS(=O)(=O)c2ccccc2)cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.52
MDM4 O15151 2/20 0.43
TP53 P04637 2/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.42
MDM2 Q00987 1/20 0.41
BACE1 P56817 1/20 0.41
EPHX2 P34913 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
SCHEMBL3580924 0.92 CASP3 (0.50) CASP3MDM4TP53KMT2AMDM2
SCHEMBL1823327 0.90 CASP3 (0.48) CASP3MDM4TP53ATMKMT2A
SCHEMBL1825168 0.89 CASP3 (0.48) CASP3ATMKMT2A
SCHEMBL1823338 0.89 CASP3 (0.48) CASP3MDM4TP53KMT2AMDM2
SCHEMBL1827734 0.89 BACE1 (0.48) CASP3MDM4TP53BACE1
SCHEMBL1828175 0.85 CASP3 (0.44) CASP3KMT2AMDM2BACE1
SCHEMBL1827981 0.85 CASP3 (0.44) CASP3KMT2AMDM2BACE1
SCHEMBL119848 0.84 KMT2A (0.53) CASP3MDM4TP53ATMKMT2A
SCHEMBL118281 0.84 KMT2A (0.53) CASP3MDM4TP53ATMKMT2A
SCHEMBL29384904 0.84 KMT2A (0.53) CASP3MDM4TP53ATMKMT2A

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
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed