SCHEMBL7689864

SCHEMBL7689864

O=[N+]([O-])c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)c4cccc(Cl)c4)cc3)ccnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 2/20 0.36
KDR P35968 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
SLC2A1 P11166 1/20 0.34
RECQL P46063 1/20 0.34
ADRB3 P13945 8/20 0.34
ADRB1 P08588 4/20 0.34
ADRB2 P07550 4/20 0.34
CYP2D6 P10635 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7689867 1.00 PDGFRA (0.36) PDGFRAKDRMEN1KMT2AALDH1A1
SCHEMBL6478093 0.88 SLC2A1 (0.39) KDRSLC2A1ADRB3ADRB1ADRB2
SCHEMBL6478089 0.88 SLC2A1 (0.39) KDRSLC2A1ADRB3ADRB1ADRB2
SCHEMBL7693501 0.88 ADRB3 (0.44) SLC2A1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL7693505 0.88 ADRB3 (0.44) SLC2A1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL7689078 0.88 SLC2A1 (0.37) PDGFRAKDRSLC2A1ADRB3ADRB1
SCHEMBL7689081 0.88 SLC2A1 (0.37) PDGFRAKDRSLC2A1ADRB3ADRB1
SCHEMBL7687814 0.86 ADRB3 (0.39) PDGFRAKDRSLC2A1ADRB3ADRB1
SCHEMBL7687817 0.86 ADRB3 (0.39) PDGFRAKDRSLC2A1ADRB3ADRB1
SCHEMBL7686800 0.85 ADRB1 (0.39) PDGFRAKDRMEN1KMT2AALDH1A1

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed