SCHEMBL9529954

SCHEMBL9529954

CC1SC(=O)NN=C1c1ccc2c(c1)CCCC(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.58
PDE3A Q14432 13/20 0.58
PDE4A P27815 6/20 0.58
PDE4B Q07343 6/20 0.58
PDE4C Q08493 6/20 0.58
PDE4D Q08499 6/20 0.58
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
MMP12 P39900 1/20 0.45
RAB9A P51151 1/20 0.45
GSK3B P49841 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL9527872 0.93 PDE3B (0.67) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7274250 0.87 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6790609 0.85 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9528602 0.84 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9638293 0.82 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL31116864 0.81 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10846502 0.81 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL31116856 0.81 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7425355 0.79 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9529725 0.78 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C

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-0294647-B1 THIADIAZINONES MERCK PATENT GmbH (DE) 1993-07-21 EP disclosed
EP-0294647-A2 Thiadiazinones MERCK PATENT GmbH (DE) 1988-12-14 EP disclosed