SCHEMBL27742193

SCHEMBL27742193

CCCCCc1ccccc1-c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ PTGES O14684 2/20 0.33
▸ PDE5A O76074 2/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ GPR3 P46089 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
SCHEMBL5133633 0.83 TLR8 (0.35) TLR8STAT3STAT1PTGS2
SCHEMBL1290343 0.83 PDE5A (0.35) TLR8LIPGSTAT3STAT1PTGS2
SCHEMBL1290248 0.83 PDE5A (0.35) TLR8LIPGSTAT3STAT1PTGS2
SCHEMBL15510966 0.82 KCNH2 (0.35) TLR8STAT3STAT1PTGS2
SCHEMBL29560227 0.82 KCNH2 (0.35) TLR8STAT3STAT1PTGS2
SCHEMBL7647117 0.82 KCNH2 (0.35) TLR8STAT3STAT1PTGS2
SCHEMBL3520097 0.82 KCNH2 (0.35) TLR8STAT3STAT1PTGS2
SCHEMBL3522374 0.82 KCNH2 (0.35) TLR8STAT3STAT1PTGS2
SCHEMBL27529147 0.82 TLR8 (0.34) TLR8STAT3STAT1PTGS2
SCHEMBL27884482 0.82 KCNH2 (0.35) TLR8STAT3STAT1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101402727-B Two-dimension netted metalloporphyrin polymer with controllable bore diameter and uses thereof UNIV SHANDONG TECHNOLOGY 2010-11-17 — — CN disclosed
CN-101402727-A Two-dimension netted metalloporphyrin polymer with controllable bore diameter and uses thereof UNIV SHANDONG TECHNOLOGY (CN) 2009-04-08 — — CN disclosed
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