SCHEMBL4337385

SCHEMBL4337385

[CH2]c1nc2c(cc1Cl)SCC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KIF11 P52732 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 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
SCHEMBL4337388 0.81 PDE3B (0.59) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL2798580 0.79 PDE3B (0.44) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL3250152 0.78 PDE3B (0.46) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL14476308 0.78 PDE3B (0.43) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL620725 0.78 PDE3B (0.46) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL13356482 0.78 PDE3B (0.43) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL30047289 0.76 PDE3B (0.46) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL2292992 0.76 PDE3B (0.46) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL8340212 0.74 PDE3B (0.42) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL3248415 0.74 ALDH1A1 (0.48) PDE3BPDE3AMAOAMAOBEPHX2

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
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed