SCHEMBL14217747

SCHEMBL14217747

C=C1N/C(=N/CC(=O)N2CCC(O)C2)C(c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 13/20 0.41
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ QPCTL Q9NXS2 1/20 0.31
▸ MDM2 Q00987 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 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
SCHEMBL14076710 0.92 QPCT (0.48) QPCTKMT2AQPCTL
SCHEMBL5056669 0.92 QPCT (0.48) QPCTKMT2AQPCTL
SCHEMBL16472234 0.89 PIK3CD (0.32) QPCT
SCHEMBL5056876 0.83 QPCT (0.41) QPCTQPCTL
SCHEMBL14217791 0.83 QPCT (0.41) QPCTQPCTL
SCHEMBL14076605 0.81 QPCT (0.35) QPCT
SCHEMBL5053565 0.81 QPCT (0.36) QPCTQPCTL
SCHEMBL14076609 0.80 QPCT (0.51) QPCTQPCTL
SCHEMBL5062254 0.80 QPCT (0.51) QPCTQPCTL
SCHEMBL14076518 0.80 PIK3CD (0.32) QPCT

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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