SCHEMBL7589144

SCHEMBL7589144

N#Cc1c(C#N)c(OS(=O)(=O)C(F)(F)F)c2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A12 Q96S37 3/20 0.36
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CNR2 P34972 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
VEGFA P15692 1/20 0.33
EPAS1 Q99814 1/20 0.33
PDE9A O76083 3/20 0.33
ALPL P05186 1/20 0.32
HSD11B1 P28845 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
SCHEMBL7592910 0.83 PDE4A (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL25074982 0.80 EGFR (0.44) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL30249078 0.80 EGFR (0.44) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL29735301 0.79 SLC22A12 (0.37) SLC22A12PDE4APDE4CPDE4DEPAS1
SCHEMBL23087503 0.79 SLC22A12 (0.37) SLC22A12PDE4APDE4CPDE4DEPAS1
SCHEMBL6603224 0.77 ALPL (0.35) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL31661008 0.76 DYRK1A (0.40) ALDH1A1KDM4EMAPTHPGDPDE9A
SCHEMBL17287531 0.76 ADORA2A (0.36) ALDH1A1KDM4EMAPTPDE4APDE4C
SCHEMBL3627292 0.75 EPAS1 (0.38) SLC22A12PDE4APDE4CPDE4DVEGFA
SCHEMBL31350672 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTKMT2APDE4A

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