SCHEMBL870201

SCHEMBL870201

[Fe].c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.95
TDP1 Q9NUW8 3/20 0.95
TP53 P04637 6/20 0.68
ALOX15 P16050 4/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
LMNA P02545 3/20 0.65
CCR1 P32246 3/20 0.65
CCR5 P51681 3/20 0.65
CCR8 P51685 3/20 0.65
METAP1 P53582 3/20 0.65
POLB P06746 3/20 0.65
CYP1A2 P05177 1/20 0.65
BLM P54132 1/20 0.65
HIF1A Q16665 1/20 0.65
DOHH Q9BU89 1/20 0.65
P4HTM Q9NXG6 1/20 0.65
SMN1; SMN2 Q16637 6/20 0.61
HTT P42858 3/20 0.61
ALPL P05186 2/20 0.61
HSP90AA1 P07900 1/20 0.61

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
SCHEMBL789163 1.00 KDM4E (0.95) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL322756 0.97 KDM4E (1.00) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL29354466 0.97 KDM4E (1.00) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL32681187 0.95 KDM4E (0.95) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL29171375 0.95 KDM4E (0.95) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL11213260 0.95 KDM4E (0.95) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL6321672 0.92 KDM4E (0.90) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL17761190 0.86 KDM4E (0.78) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL4338239 0.86 KDM4E (0.78) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL5589973 0.86 KDM4E (0.78) KDM4ETDP1TP53ALOX15L3MBTL1

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
US-20120077281-A1 Antioxidant Test Device TRINITY BIOACTIVES LIMITED (NZ) 2012-03-29 US disclosed