SCHEMBL5334912

SCHEMBL5334912

CC(C)NC(=O)CNc1nc(-c2ccncc2)cn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.50
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KLKB1 P03952 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5334907 0.83 GSK3B (0.43) GSK3BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5338305 0.75 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8227750 0.71 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8236014 0.70 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL9911482 0.68 GAA (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL5320148 0.68 ALDH1A1 (0.54) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8236528 0.67 CXCR3 (0.41) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4028435 0.67 GSK3B (1.00) GSK3B
SCHEMBL24137901 0.65 LMNA (0.51) MAPTRAB9APKMKDM4EMEN1
SCHEMBL8236027 0.65 KDM4E (0.40) MAPTSMN1; SMN2KDM4EALDH1A1LMNA

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
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed