SCHEMBL10373752

SCHEMBL10373752

COc1cc([S+](C)[O-])ccc1-c1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
AMY1A P0DUB6 12/20 0.39
PDE5A O76074 2/20 0.37
PDE2A O00408 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 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
SCHEMBL9703428 0.87 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374300 0.87 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374060 0.85 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10373442 0.84 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10376468 0.84 AMY1A (0.53) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL10374335 0.84 PDE4D (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374303 0.83 PDE4A (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10373891 0.83 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10373624 0.83 PDE4A (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10373868 0.83 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186010-B1 PYRROLO BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1990-01-31 EP disclosed
US-4810801-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1989-03-07 US disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP disclosed