SCHEMBL4566562

SCHEMBL4566562

COc1ccc(NC(=O)N(S)CCn2ccnc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.62
QPCTL Q9NXS2 1/20 0.57
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4569743 0.94 QPCT (0.67) QPCTQPCTLPOLBNPC1
SCHEMBL77446 0.83 QPCT (0.62) QPCTQPCTLPOLBNPC1KMT2A
SCHEMBL77921 0.83 QPCT (0.62) QPCTQPCTLPOLBNPC1KMT2A
SCHEMBL76307 0.77 QPCT (1.00) QPCTQPCTL
SCHEMBL14156238 0.74 QPCT (0.93) QPCTQPCTL
SCHEMBL78461 0.74 QPCT (1.00) QPCTQPCTL
SCHEMBL14855986 0.74 QPCT (0.65) QPCTQPCTLKMT2AMEN1
SCHEMBL76673 0.73 QPCT (1.00) QPCTQPCTL
SCHEMBL85717 0.73 QPCT (0.73) QPCTQPCTLPOLBNPC1KMT2A
SCHEMBL76693 0.72 QPCT (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117540-A1 NEW USE OF GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2009-11-18 EP disclosed
WO-2008104580-A1 NEW USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-09-04 WO disclosed