SCHEMBL8307326

SCHEMBL8307326

CCCCS(=O)(=O)NC1CCc2cc(C3=NNC(=O)CC3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.51
LMNA P02545 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
PDE3B Q13370 10/20 0.41
PDE3A Q14432 10/20 0.41
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
MAPT P10636 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 2/20 0.37

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
SCHEMBL8306283 0.93 LMNA (0.47) HDAC8LMNANPY1RNPY2RPDE3B
SCHEMBL8714462 0.83 HDAC8 (0.47) HDAC8LMNANPY1RNPY2RMAPT
SCHEMBL8302610 0.82 LMNA (0.46) LMNANPY1RNPY2RPDE3BPDE3A
SCHEMBL8305010 0.80 HDAC8 (0.43) HDAC8LMNANPY1RNPY2RMAPT
SCHEMBL8307154 0.80 HDAC8 (0.52) HDAC8LMNAPDE3BPDE3APDE4A
SCHEMBL8304115 0.77 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8303551 0.77 LMNA (0.48) LMNANPY1RNPY2RPDE3BPDE3A
SCHEMBL8298942 0.75 TBXA2R (0.44) LMNANPY1RNPY2RPDE3BPDE3A
SCHEMBL8720034 0.75 HDAC8 (0.42) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8304547 0.75 PDE3B (0.48) LMNANPY1RNPY2RPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579059-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-12 EP disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed