SCHEMBL28064235

SCHEMBL28064235

CC(c1ccc(Oc2ccc(N)cn2)cc1)(c1ccc(Oc2ccc(N)cn2)cc1)c1ccc(Oc2ccc(N)cn2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.82
RAB9A P51151 3/20 0.82
POLB P06746 2/20 0.82
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 3/20 0.53
BRCA1 P38398 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 5/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 1/20 0.49
KEAP1 Q14145 1/20 0.45
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
LIPE Q05469 2/20 0.39
GFER P55789 1/20 0.39
PKM P14618 1/20 0.39
BCHE P06276 1/20 0.39

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
Limantrafin SCHEMBL4638726 0.90 KDM4E (1.00) KDM4ERAB9APOLBMEN1KMT2A
Limantrafin SCHEMBL25340427 0.90 KDM4E (1.00) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL28055507 0.90 KDM4E (0.82) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL30601045 0.90 KDM4E (0.82) KDM4ERAB9APOLBMEN1KMT2A
Limantrafin SCHEMBL29221528 0.89 KDM4E (0.97) KDM4ERAB9APOLBMEN1KMT2A
Limantrafin SCHEMBL30617842 0.89 KDM4E (0.97) KDM4ERAB9APOLBMEN1KMT2A
Limantrafin SCHEMBL21597014 0.89 KDM4E (0.97) KDM4ERAB9APOLBMEN1KMT2A
Limantrafin SCHEMBL30865022 0.89 KDM4E (0.97) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL31225411 0.84 KDM4E (0.73) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL15055437 0.84 KDM4E (0.73) KDM4ERAB9APOLBMEN1KMT2A

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
CN-105541703-A Triamine monomer containing pyridine structure and preparation method thereof UNIV JILIN 2016-05-04 CN disclosed