SCHEMBL9414798

SCHEMBL9414798

CSCCS(=O)(=O)CCCNC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 11/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 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
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP1A2 P05177 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 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
SCHEMBL8302569 0.90 MAPT (0.42) GRIA2PDE3BPDE3APDE4APDE4B
SCHEMBL8718589 0.84 GRIA2 (0.43) GRIA2PDE3BPDE3APDE4APDE4B
SCHEMBL8302688 0.82 GRIA2 (0.37) GRIA2PDE3BPDE3APDE4APDE4B
SCHEMBL8302588 0.80 PDE3B (0.44) GRIA2PDE3BPDE3APDE4APDE4B
Bromide SCHEMBL9235635 0.79 PDE3B (0.43) GRIA2PDE3BPDE3APDE4APDE4B
SCHEMBL8302585 0.75 MAPT (0.46) GRIA2PDE3BPDE3APDE4APDE4B
SCHEMBL8307491 0.75 GRIA2 (0.45) GRIA2PDE3BPDE3APDE4APDE4B
SCHEMBL8300942 0.71 PDE3B (0.44) GRIA2PDE3BPDE3APDE4APDE4B
SCHEMBL8300364 0.71 TBXA2R (0.45) GRIA2PDE3BPDE3APDE4APDE4B
SCHEMBL8307154 0.70 HDAC8 (0.52) GRIA2PDE3BPDE3APDE4APDE4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed