SCHEMBL8302587

SCHEMBL8302587

CCCCS(=O)(=O)N(C)C1Cc2ccc(C3=NN(C)C(=O)CC3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
HRH3 Q9Y5N1 1/20 0.37
NLRP3 Q96P20 1/20 0.35
PARP1 P09874 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL8308772 0.82 HDAC8 (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8715566 0.75 MAPT (0.44) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8714625 0.72 KMT2A (0.43)
SCHEMBL11318812 0.67 PDE4A (0.62) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8302610 0.63 LMNA (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8306283 0.63 LMNA (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10596136 0.62 PDE4A (1.00) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL12699910 0.61 HRH3 (0.56) HRH3
SCHEMBL1640654 0.61 PDE3B (0.46) PDE4BPDE3BPDE3AHRH3
SCHEMBL8685634 0.60 ALDH1A1 (0.54) PDE4BPDE4APDE4CPDE4DPDE3B

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-0579059-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-12 EP disclosed
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed