SCHEMBL16994470

SCHEMBL16994470

CCCN(C)c1nc2cc(OC)c(OC)cc2cc1-c1cc(OC)c(OC)cc1Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 6/20 0.40
▸ PDGFRA P16234 6/20 0.40
▸ PDE10A Q9Y233 3/20 0.36
▸ ACHE P22303 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ACACA Q13085 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL14906991 0.81 PDGFRB (0.40) PDGFRBPDGFRAACHEALDH1A1MAPT
SCHEMBL12074762 0.80 PDE10A (0.43) PDGFRBPDGFRAPDE10AACHEALDH1A1
SCHEMBL12074882 0.74 PDGFRB (0.52) PDGFRBPDGFRAPDE10AALDH1A1MAPT
SCHEMBL14906837 0.72 CSNK1D (0.42) PDE10AALDH1A1
SCHEMBL14903970 0.71 PDE10A (0.40) PDE10AALDH1A1GLAACACA
SCHEMBL16994469 0.69 PTAFR (0.38) PDGFRBPDGFRAPDE10AACHEALDH1A1
SCHEMBL12074199 0.67 TLR9 (0.46) PDGFRBPDGFRASLC2A1
SCHEMBL12075017 0.66 PDGFRB (0.67) PDGFRBPDGFRAALDH1A1MAPTSMN1; SMN2
SCHEMBL12074886 0.66 SLC2A1 (0.57) PDGFRBPDGFRAALDH1A1MAPTSMN1; SMN2
SCHEMBL12074196 0.66 PDGFRB (0.51) PDGFRBPDGFRAALDH1A1MAPTSMN1; SMN2

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
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