SCHEMBL18976716

SCHEMBL18976716

NCCNc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 16/20 0.67
▸ KCNH2 Q12809 5/20 0.60

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
SCHEMBL20924382 0.91 AOC3 (0.67) AOC3KCNH2
SCHEMBL20924507 0.84 AOC3 (0.76) AOC3KCNH2
SCHEMBL20924303 0.81 AOC3 (0.57) AOC3KCNH2
SCHEMBL18976817 0.81 AOC3 (0.55) AOC3KCNH2
SCHEMBL20924390 0.80 AOC3 (0.61) AOC3KCNH2
SCHEMBL16053113 0.80 AOC3 (1.00) AOC3KCNH2
SCHEMBL16053490 0.80 AOC3 (0.78) AOC3KCNH2
SCHEMBL16047676 0.80 AOC3 (1.00) AOC3KCNH2
SCHEMBL30025855 0.80 AOC3 (1.00) AOC3KCNH2
SCHEMBL18976720 0.79 AOC3 (0.52) AOC3KCNH2

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-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 — — WO disclosed
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