SCHEMBL7187300

SCHEMBL7187300

CC(=O)OC[C@@H](C)n1c(=O)[nH]c2cc(C#N)cnc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.48
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PGR P06401 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
USP1 O94782 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL7183756 0.80 PDE4B (0.47) PDE4BMEN1LMNAKMT2A
SCHEMBL7178509 0.80 PGR (0.38) PDE4BTNKSTNKS2PGR
SCHEMBL7187351 0.80 PGR (0.38) PDE4BTNKSTNKS2PGR
SCHEMBL7447106 0.76 PDE4B (0.40) PDE4BTNKSTNKS2MEN1LMNA
SCHEMBL7191700 0.70 PGR (0.44) PDE4BTNKSTNKS2PGR
SCHEMBL7187323 0.70 PGR (0.44) PDE4BTNKSTNKS2PGR
SCHEMBL7191729 0.69 TNKS (0.54) PDE4BTNKSTNKS2
SCHEMBL7191736 0.69 TNKS (0.54) PDE4BTNKSTNKS2
SCHEMBL7456189 0.65 B3GNT2 (0.43) PGRMEN1KMT2A
SCHEMBL7186419 0.65 ALDH1A1 (0.48) MEN1KMT2A

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