SCHEMBL9738168

SCHEMBL9738168

COc1ccc(N2N=C3c4cc(C)sc4CCCC3CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL9738208 0.91 GAA (0.34) APPKMT2AMEN1ALDH1A1POLB
SCHEMBL9737943 0.89 APP (0.38) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL9738054 0.88 MAPT (0.41) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9739096 0.88 PDE4A (0.40) APPKMT2AMEN1ALDH1A1GAA
SCHEMBL9737830 0.85 APP (0.40) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL7291523 0.82 APP (0.41) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL7297676 0.80 APP (0.39) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL7290314 0.80 APP (0.39) APPKMT2AMEN1ALDH1A1GAA
SCHEMBL10365856 0.77 APP (0.44) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL10365961 0.77 APP (0.43) APPKMT2AMEN1ALDH1A1LMNA

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