SCHEMBL9737943

SCHEMBL9737943

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
MAPT P10636 5/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 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
LMNA P02545 3/20 0.34
POLB P06746 3/20 0.34
ALDH1A1 P00352 6/20 0.34
PTGS2 P35354 1/20 0.33
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9738168 0.89 APP (0.41) APPMAPTGAAKMT2AMEN1
SCHEMBL9737592 0.87 MAPT (0.36) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL9737830 0.84 APP (0.40) APPMAPTGAAKMT2AMEN1
SCHEMBL7291168 0.82 APP (0.38) APPMAPTGAAKMT2AMEN1
SCHEMBL7372491 0.81 APP (0.36) APPMAPTGAAKMT2AMEN1
SCHEMBL9738208 0.79 GAA (0.34) APPMAPTGAAKMT2AMEN1
SCHEMBL9738054 0.77 MAPT (0.41) MAPTGAAKMT2AMEN1LMNA
SCHEMBL9739096 0.76 PDE4A (0.40) APPMAPTGAAKMT2AMEN1
SCHEMBL10365961 0.76 APP (0.43) APPMAPTGAAKMT2AMEN1
SCHEMBL10365856 0.74 APP (0.44) APPMAPTGAAKMT2AMEN1

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