SCHEMBL16162020

SCHEMBL16162020

O=C(Nc1c(F)ccc(NS(=O)(=O)N2CCCCC2)c1F)Oc1cnc2[nH]cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.48
ERN1 O75460 1/20 0.39
KIT P10721 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.35
FKBP1A P62942 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL16161915 0.99 BRAF (0.49) BRAFERN1KITKDM4EMEN1
SCHEMBL16162088 0.92 BRAF (0.45) BRAFALOX5APFEN1ALDH1A1LMNA
SCHEMBL16161966 0.86 BRAF (0.63) BRAFERN1
SCHEMBL16162013 0.85 BRAF (0.64) BRAFERN1
SCHEMBL13249670 0.85 BRAF (0.52) BRAFERN1KDM4EMEN1KMT2A
SCHEMBL13249671 0.84 BRAF (0.53) BRAFERN1KITKDM4EMEN1
SCHEMBL16162131 0.84 BRAF (0.44) BRAF
SCHEMBL16162152 0.82 BRAF (0.47) BRAFPIK3C3
SCHEMBL16162151 0.82 CYP2D6 (0.43) BRAFERN1
SCHEMBL16161898 0.81 CYP2C9 (0.46) BRAFERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170830-B1 2-FLUORO-BENZENESULFONAMIDE COMPOUNDS AS Raf KINASE MODULATORS PLEXXIKON INC (US) 2014-10-15 EP claimed