SCHEMBL7572876

SCHEMBL7572876

N#Cc1ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 11/20 0.36
VEGFA P15692 1/20 0.33
PGR P06401 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32

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
SCHEMBL3627292 0.82 EPAS1 (0.38) EPAS1VEGFASLC22A12
SCHEMBL1054398 0.80 SLC22A12 (0.37) EPAS1VEGFASLC22A12
SCHEMBL3958603 0.80 EPAS1 (0.41) EPAS1PGRSLC22A12
SCHEMBL13274502 0.78 EPAS1 (0.36) EPAS1
SCHEMBL3608428 0.78 EPAS1 (0.36) EPAS1
SCHEMBL5728291 0.77 EPAS1 (0.45) EPAS1VEGFASLC22A12
SCHEMBL2259279 0.76 AR (0.44) EPAS1SLC22A12
SCHEMBL13190916 0.75 EPAS1 (0.35) EPAS1VEGFA
SCHEMBL4443907 0.74 SLC22A12 (0.40) SLC22A12
SCHEMBL8618855 0.74 MAOB (0.45) EPAS1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed