SCHEMBL7187323

SCHEMBL7187323

CC[C@H](COC(C)=O)n1c(=O)[nH]c2cc(C#N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.44
ALK Q9UM73 4/20 0.35
PDE4B Q07343 1/20 0.35
MAPT P10636 1/20 0.34
TNKS O95271 6/20 0.34
POLB P06746 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 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
SCHEMBL7191700 1.00 PGR (0.44) PGRALKPDE4BMAPTTNKS
SCHEMBL7178509 0.87 PGR (0.38) PGRALKPDE4BMAPTTNKS
SCHEMBL7187351 0.87 PGR (0.38) PGRALKPDE4BMAPTTNKS
SCHEMBL20079378 0.74 POLB (0.55) PGRALKMAPTTNKSPOLB
SCHEMBL7184073 0.74 PGR (0.42) PGRALKMAPTTNKSPOLB
SCHEMBL7176932 0.74 PGR (0.42) PGRALKMAPTTNKSPOLB
SCHEMBL7185221 0.73 POLB (0.44) PGRMAPTPOLB
SCHEMBL7191331 0.73 MAPT (0.35) ALKMAPTTNKSTNKS2PARP1
SCHEMBL7183914 0.70 HSD11B1 (0.37) MAPTTNKSPOLBTNKS2
SCHEMBL7187300 0.70 PDE4B (0.48) PGRPDE4BTNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed