SCHEMBL574770

SCHEMBL574770

COC[N+]1(C2CCCCO2)C=C(Br)C(c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)=N1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.37
NR1I2 O75469 5/20 0.37
EIF2AK3 Q9NZJ5 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CA P42336 2/20 0.31
PIK3R1 P27986 1/20 0.31

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
SCHEMBL575024 0.63 CYP4F2 (0.39)
SCHEMBL574453 0.63 PTGES2 (0.54) BRAFCYP3A4CYP2C9POLBKMT2A
SCHEMBL15191648 0.61 BRAF (0.46) BRAFNR1I2EIF2AK3PIK3CAPIK3R1
SCHEMBL15192731 0.60 BRAF (0.44) BRAFNR1I2EIF2AK3PIK3CAPIK3R1
SCHEMBL29721254 0.60 CYP3A4 (0.52) BRAFCYP3A4CYP2C9
SCHEMBL29721313 0.60 CYP3A4 (0.52) BRAFCYP3A4CYP2C9
SCHEMBL1127184 0.60 CYP3A4 (0.52) BRAFCYP3A4CYP2C9
SCHEMBL574829 0.59 BRAF (0.44) BRAFNR1I2EIF2AK3PIK3CA
SCHEMBL574840 0.59 CYP4F2 (0.39)
SCHEMBL1818665 0.59 PTGES2 (0.48) BRAFCYP3A4CYP2C9POLBKMT2A

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