SCHEMBL9737830

SCHEMBL9737830

COc1ccc(N2N=C3c4ccsc4CCCC3CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 4/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 5/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL9738670 0.89 ACHE (0.41) BCHEACHEKMT2AGAAMEN1
SCHEMBL8840949 0.86 ACHE (0.43) BCHEACHEKMT2AMEN1ALDH1A1
SCHEMBL9738168 0.85 APP (0.41) APPKMT2AGAAMEN1CA12
SCHEMBL9737943 0.84 APP (0.38) APPKMT2AGAAMEN1CA12
SCHEMBL7286897 0.82 POLB (0.43) APPKMT2AGAAMEN1CA12
SCHEMBL8840999 0.82 ACHE (0.47) BCHEACHEGAAPOLBALDH1A1
SCHEMBL8840973 0.79 ACHE (0.48) BCHEACHEKMT2AMEN1ALDH1A1
SCHEMBL10365961 0.77 APP (0.43) APPACHEKMT2AGAAMEN1
SCHEMBL10365856 0.75 APP (0.44) APPKMT2AGAAMEN1CA12
SCHEMBL7290542 0.74 MAPT (0.41) APPACHEKMT2AGAAMEN1

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