SCHEMBL16456717

SCHEMBL16456717

S=C1NC(=NC(Cc2ccccc2)c2ccccc2)C(c2cc3c(cc2Br)OCO3)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 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
SCHEMBL5056527 1.00 QPCT (0.32) QPCT
SCHEMBL14076387 1.00 QPCT (0.32) QPCT
SCHEMBL14076682 0.92 QPCT (0.38) QPCT
SCHEMBL16456681 0.92 QPCT (0.38) QPCT
SCHEMBL5061973 0.92 QPCT (0.38) QPCT
SCHEMBL16472501 0.84 — —
SCHEMBL5056720 0.82 QPCT (0.35) QPCT
SCHEMBL5056714 0.82 QPCT (0.35) QPCT
SCHEMBL14076424 0.82 QPCT (0.35) QPCT
SCHEMBL5063925 0.81 — —

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
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP claimed
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