SCHEMBL18953142

SCHEMBL18953142

COc1[c]cc(-c2ccccn2)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 5/20 0.39
TP53 P04637 5/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL20172587 0.74 SMN1; SMN2 (0.52) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL8501500 0.72 SMN1; SMN2 (0.51) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL1705582 0.72 KDM4E (0.40) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL7450197 0.71 KDM4E (0.42) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL7446349 0.71 KDM4E (0.42) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL29496937 0.69 SMN1; SMN2 (0.66) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL5463881 0.69 SMN1; SMN2 (0.66) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL17194893 0.69 L3MBTL1 (0.51) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL30591975 0.68 TDO2 (0.42) KDM4ELMNAPOLBCCR1CCR5
SCHEMBL21383931 0.68 TDO2 (0.42) KDM4ELMNAPOLBCCR1CCR5

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
EP-3386974-B1 WATER-SOLUBLE TRIAZAPYRIDINOPHANE-BASED COMPLEXING AGENTS AND CORRESPONDING FLUORESCENT LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2020-02-05 EP disclosed
EP-3386974-A1 WATER-SOLUBLE TRIAZAPYRIDINOPHANE-BASED COMPLEXING AGENTS AND CORRESPONDING FLUORESCENT LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2018-10-17 EP disclosed
WO-2017098180-A1 WATER-SOLUBLE TRIAZAPYRIDINOPHANE-BASED COMPLEXING AGENTS AND CORRESPONDING FLUORESCENT LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2017-06-15 WO disclosed