SCHEMBL9704428

SCHEMBL9704428

COc1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)NC4=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT1 P42224 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL9382103 0.85 PDE4A (0.74) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10700489 0.82 NPC1 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL13341247 0.76 NPC1 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9704446 0.76 CDK4 (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9703428 0.76 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9143986 0.75 NPC1 (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9143976 0.75 PDE4A (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10695270 0.74 NPC1 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9379025 0.74 NPC1 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10534328 0.74 PGR (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed