SCHEMBL1706606

SCHEMBL1706606

c1cc(CSc2nnc(-c3ccc4[nH]cnc4c3)o2)ccn1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 17/20 0.83
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
USP2 O75604 1/20 0.57
GSK3A P49840 2/20 0.54
GSK3B P49841 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL13435537 0.91 QPCT (1.00) QPCT
SCHEMBL1706070 0.90 QPCT (0.83) QPCTNPC1RAB9AL3MBTL1
SCHEMBL16948533 0.89 QPCT (0.69) QPCTNPC1RAB9AGSK3AGSK3B
SCHEMBL1706008 0.88 QPCT (0.84) QPCTGSK3AGSK3BALDH1A1HTT
SCHEMBL1706795 0.88 QPCT (0.67) QPCT
SCHEMBL1706589 0.88 QPCT (0.84) QPCTGSK3BMAPK1HTT
SCHEMBL1706314 0.87 QPCT (0.85) QPCTNPC1RAB9AALDH1A1HTT
SCHEMBL1706435 0.85 QPCT (0.85) QPCT
SCHEMBL1706173 0.84 QPCT (0.84) QPCT
SCHEMBL1706075 0.83 QPCT (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP claimed