SCHEMBL4569743

SCHEMBL4569743

COc1ccc(NC(=O)N(S)CCCn2ccnc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.67
QPCTL Q9NXS2 1/20 0.60
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4566562 0.94 QPCT (0.62) QPCTQPCTLNPC1POLB
SCHEMBL77446 0.82 QPCT (0.62) QPCTQPCTLNPC1POLB
SCHEMBL77921 0.82 QPCT (0.62) QPCTQPCTLNPC1POLB
SCHEMBL76307 0.80 QPCT (1.00) QPCTQPCTLMAPTALDH1A1PKM
SCHEMBL77510 0.78 QPCT (0.61) QPCTNPC1POLBMAPTALDH1A1
SCHEMBL14156238 0.77 QPCT (0.93) QPCTQPCTL
SCHEMBL14855986 0.76 QPCT (0.65) QPCTQPCTLMAPTALDH1A1PKM
SCHEMBL76673 0.76 QPCT (1.00) QPCTQPCTL
SCHEMBL76693 0.75 QPCT (1.00) QPCTQPCTL
SCHEMBL29410444 0.75 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