SCHEMBL16472530

SCHEMBL16472530

O=C(C/N=C1/NC(=O)N(c2ccc3nc[nH]c3c2)C1c1cc2c(cc1Br)CCO2)N1CCSCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 18/20 0.45
▸ PIK3CA P42336 2/20 0.36
▸ QPCTL Q9NXS2 1/20 0.35

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
SCHEMBL5053561 0.90 QPCT (0.46) QPCTQPCTL
SCHEMBL14076468 0.90 QPCT (0.46) QPCTQPCTL
SCHEMBL14217706 0.82 QPCT (0.42) QPCTQPCTL
SCHEMBL14217788 0.81 QPCT (0.45) QPCTQPCTL
SCHEMBL5062202 0.81 QPCT (0.45) QPCTQPCTL
SCHEMBL5056589 0.77 QPCT (0.39) QPCTQPCTL
SCHEMBL5056594 0.77 QPCT (0.39) QPCTQPCTL
SCHEMBL14076484 0.75 QPCT (0.40) QPCTQPCTL
SCHEMBL5062591 0.75 QPCT (0.40) QPCTQPCTL
SCHEMBL14076378 0.74 QPCT (0.51) QPCTQPCTL

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 disclosed
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