SCHEMBL14217846

SCHEMBL14217846

O=C1CCCN1CCC/N=C1\NC(=O)N(c2ccc3[nH]cnc3c2)C1c1cccc2cccnc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 15/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ QPCTL Q9NXS2 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ GFER P55789 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
SCHEMBL5056989 1.00 QPCT (0.35) QPCTKDM4EHSD17B10HPGDPPARG
SCHEMBL14076503 0.94 QPCT (0.33) QPCTKDM4EHSD17B10HPGDPPARG
SCHEMBL5056455 0.87 QPCT (0.37) QPCTKDM4EHSD17B10HPGDMAPT
SCHEMBL14076562 0.87 QPCT (0.37) QPCTKDM4EHSD17B10HPGDMAPT
SCHEMBL5058038 0.83 QPCT (0.39) QPCTKDM4EHSD17B10HPGDMAPT
SCHEMBL14076547 0.83 QPCT (0.39) QPCTKDM4EHSD17B10HPGDMAPT
SCHEMBL14076426 0.83 QPCT (0.35) QPCTKDM4EHSD17B10HPGDMAPT
SCHEMBL5134847 0.83 QPCT (0.35) QPCTKDM4EHSD17B10HPGDMAPT
SCHEMBL14076705 0.83 QPCT (0.41) QPCTKDM4EHSD17B10HPGDMAPT
SCHEMBL5057106 0.83 QPCT (0.41) QPCTKDM4EHSD17B10HPGDMAPT

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
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — WO disclosed
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