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Sugi Predict / Compounds / SCHEMBL14435452

SCHEMBL14435452

SCHEMBL14435452

Cn1cc[n+](C)c1N=Nc1ccc(NCCCNc2ccc(/N=N/c3n(C)cc[n+]3C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HDAC8 Q9BY41 3/20 0.32
▸ PRSS1 P07477 1/20 0.30
▸ APP P05067 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL14566058 1.00 ALDH1A1 (0.33) ALDH1A1MAPTHDAC8PRSS1APP
SCHEMBL17784551 1.00 ALDH1A1 (0.33) ALDH1A1MAPTHDAC8PRSS1APP
Bromide SCHEMBL19348863 0.99 ALDH1A1 (0.32) ALDH1A1MAPTHDAC8
Hydrochloric Acid SCHEMBL19348818 0.99 NPSR1 (0.32) ALDH1A1MAPTHDAC8NPSR1L3MBTL1
SCHEMBL17784639 0.97 HDAC8 (0.32) ALDH1A1MAPTHDAC8PRSS1APP
SCHEMBL19348870 0.97 HDAC8 (0.32) ALDH1A1MAPTHDAC8PRSS1APP
SCHEMBL17784676 0.96 PRSS1 (0.32) HDAC8PRSS1
SCHEMBL19348844 0.96 PRSS1 (0.32) HDAC8PRSS1
SCHEMBL13236042 0.96 PRSS1 (0.32) HDAC8PRSS1
SCHEMBL14502809 0.95 SLC22A2 (0.30) —

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-2007090765-A2 HIGH CAPACITY OPTICAL STORAGE MEDIA COMPRISING ORGANOMETALLIC ION PAIRS CIBA HOLDING INC. (CH) 2007-08-16 — — WO disclosed