SCHEMBL4638348

SCHEMBL4638348

N#Cc1c[c]cc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 10/20 0.39
VEGFA P15692 1/20 0.39
SCN9A Q15858 4/20 0.37
SLC22A12 Q96S37 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ERBB2 P04626 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL4637470 0.84 SCN9A (0.39) EPAS1VEGFASCN9AMEN1KMT2A
SCHEMBL4638451 0.83 SCN9A (0.38) EPAS1SCN9AMEN1KMT2AHTR2A
SCHEMBL4637612 0.83 HTT (0.43) EPAS1SCN9AMEN1KMT2AHTR2A
SCHEMBL2067780 0.78 PTGDR2 (0.41) EPAS1VEGFAMEN1KMT2A
SCHEMBL4637574 0.75 EPAS1 (0.51) EPAS1VEGFASCN9ASLC22A12
SCHEMBL4637490 0.72 EPAS1 (0.43) EPAS1SCN9AKMT2APGR
SCHEMBL4637551 0.71 CYP1A2 (0.39) SCN9ASLC22A12MEN1KMT2AHTR2A
SCHEMBL12504669 0.70 ACLY (0.51) EPAS1MEN1KMT2A
SCHEMBL4638321 0.70 PLA2G7 (0.40) EPAS1VEGFASCN9A
SCHEMBL4637581 0.69 SCN9A (0.41) EPAS1SCN9A

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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed