SCHEMBL575001

SCHEMBL575001

COC(NS(=O)(=O)c1cc(F)ccc1F)c1cccc(-c2nn(C(C)C)cc2-c2ccncc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.35
PGR P06401 1/20 0.35
PIK3CA P42336 5/20 0.34
MTOR P42345 5/20 0.34
BRAF P15056 9/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL575020 0.84 KDM1A (0.37) BRAFHTR1ADRD2HTR7HTR6
SCHEMBL574457 0.83 BRAF (0.44) PIK3CAMTORBRAF
SCHEMBL574795 0.82 BRAF (0.39) PIK3CAMTORBRAFMEN1KMT2A
SCHEMBL575000 0.76 BRAF (0.34) PIK3CAMTORBRAF
SCHEMBL15192261 0.73 BRAF (0.46) PIK3CAMTORBRAF
SCHEMBL574842 0.72 BRAF (0.48) PIK3CAMTORBRAF
SCHEMBL574829 0.70 BRAF (0.44) PIK3CAMTORBRAF
SCHEMBL574872 0.70 BRAF (0.47) PIK3CAMTORBRAF
SCHEMBL28039527 0.69 BRAF (0.34) BRAFFABP4FABP5
SCHEMBL575024 0.69 CYP4F2 (0.39) HTR1ADRD2HTR7HTR6

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-2601185-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS Nerviano Medical Sciences S.r.l. (IT) 2013-06-12 EP disclosed
WO-2012016993-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-09 WO disclosed