SCHEMBL28072352

SCHEMBL28072352

CCOc1cccc(C=O)c1O.Nn1cnnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.50
▸ TLR2 O60603 1/20 0.50
▸ TLR1 Q15399 1/20 0.50
▸ TLR6 Q9Y2C9 1/20 0.50
▸ IGF1R P08069 1/20 0.47
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL172818 0.86 ERN1 (0.66) ERN1TLR2TLR1TLR6IGF1R
SCHEMBL29442477 0.86 ERN1 (0.66) ERN1TLR2TLR1TLR6IGF1R
Ethylenediamine SCHEMBL10537022 0.82 ERN1 (0.57) ERN1TLR2TLR1TLR6IGF1R
Monoethanolamine SCHEMBL28688060 0.81 ERN1 (0.55) ERN1TLR2TLR1TLR6IGF1R
SCHEMBL27942814 0.78 ERN1 (0.53) ERN1TLR2TLR1TLR6IGF1R
SCHEMBL28123228 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL20677717 0.76 ERN1 (0.53) ERN1TLR2TLR1TLR6IGF1R
SCHEMBL27659218 0.74 ERN1 (0.62) ERN1TLR2TLR1TLR6IGF1R
SCHEMBL9315287 0.74 TLR2 (0.50) ERN1TLR2TLR1TLR6IGF1R
SCHEMBL28644174 0.73 NCOA3 (0.45) ERN1TLR2TLR1TLR6IGF1R

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-105801502-A Luminescent material Cu2(etmp)4 and synthesizing method thereof 桂林理工大学 2016-07-27 — — CN disclosed
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