SCHEMBL14217793

SCHEMBL14217793

CC1=CC(C)C(C2/C(=N/CC(=O)N3CCSCC3)NC(=O)N2c2ccc3[nH]cnc3c2)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL5053589 1.00 QPCT (0.31) QPCTALDH1A1HPGD
SCHEMBL14076621 0.93 — —
SCHEMBL14076559 0.91 ALDH1A1 (0.33) QPCTALDH1A1HPGD
SCHEMBL5058116 0.87 QPCT (0.37) QPCTALDH1A1HPGD
SCHEMBL14076663 0.87 QPCT (0.37) QPCTALDH1A1HPGD
SCHEMBL16456828 0.82 QPCT (0.33) QPCT
SCHEMBL16456830 0.82 QPCT (0.33) QPCT
SCHEMBL16456833 0.82 QPCT (0.33) QPCT
SCHEMBL5056965 0.80 QPCT (0.33) QPCT
SCHEMBL14076570 0.80 QPCT (0.33) 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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