SCHEMBL574795

SCHEMBL574795

COC(NS(=O)(=O)c1cc(F)ccc1F)c1cccc(-c2nn(C3CCCCO3)cc2-c2ccncc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.39
EGFR P00533 1/20 0.33
HTR1A P08908 3/20 0.32
HTR7 P34969 3/20 0.32
NR1I2 O75469 5/20 0.31
DRD2 P14416 2/20 0.31
HTR6 P50406 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ATR Q13535 1/20 0.31
NLRP3 Q96P20 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
ABL1 P00519 1/20 0.30

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 0.85 KDM1A (0.37) BRAFEGFRHTR1AHTR7NR1I2
SCHEMBL575024 0.82 CYP4F2 (0.39) HTR1AHTR7DRD2HTR6ATR
SCHEMBL575001 0.82 NR3C1 (0.35) BRAFHTR1AHTR7DRD2HTR6
SCHEMBL574769 0.79 BRAF (0.38) BRAFEGFRATR
SCHEMBL15191648 0.79 BRAF (0.46) BRAFHTR1AHTR7NR1I2PIK3CA
SCHEMBL574977 0.72 BRAF (0.46) BRAFEGFRNR1I2PIK3CAMTOR
SCHEMBL574941 0.71 BRAF (0.50) BRAFEGFRHTR1AHTR7NR1I2
SCHEMBL17146531 0.71 BRAF (0.36) BRAF
SCHEMBL574787 0.71 BRAF (0.35) BRAF
SCHEMBL15191754 0.71 BRAF (0.38) BRAFATR

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