SCHEMBL9738208

SCHEMBL9738208

Cc1ccc(N2N=C3c4cc(C)sc4CCCC3CC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 4/20 0.33
SRC P12931 1/20 0.33
NPC1 O15118 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
APP P05067 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HTT P42858 1/20 0.31
CNR2 P34972 1/20 0.31
PTH1R Q03431 1/20 0.31
EP300 Q09472 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL9738054 0.93 MAPT (0.41) GAAMAPTNPC1HTTPTH1R
SCHEMBL9739096 0.92 PDE4A (0.40) GAAMAPTPDE4APDE4BPDE4C
SCHEMBL9738168 0.91 APP (0.41) GAAMAPTPDE4APDE4BPDE4C
SCHEMBL9738670 0.84 ACHE (0.41) GAAMAPTSRCHTTMEN1
SCHEMBL8840985 0.81 ACHE (0.34) GAAMAPTNPC1PDE4APDE4B
SCHEMBL7379926 0.80 MAPT (0.33) GAAMAPTNPC1PDE4APDE4B
SCHEMBL9411277 0.80 GABRP (0.38) GAAMAPTNPC1HTTEP300
SCHEMBL9737592 0.80 MAPT (0.36) MAPTNPC1PTGS2HTTPTH1R
SCHEMBL9737943 0.79 APP (0.38) GAAMAPTPDE4APDE4BPDE4C
SCHEMBL8840975 0.79 NPC1 (0.32) GAAMAPTNPC1PDE4APDE4B

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
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US claimed
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed