SCHEMBL9833546

SCHEMBL9833546

CCCC(=O)NC1Nc2cc3c(cc2N1)C(C)(C)C(=O)N3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.38
MAPK14 Q16539 3/20 0.34
PGR P06401 4/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL9835339 0.90 ATAD2 (0.42) ATAD2MAPK14PGRPDE3BPDE3A
SCHEMBL9834460 0.82 ATAD2 (0.42) ATAD2MAPK14PGRPDE3BPDE3A
SCHEMBL9834909 0.74 ATAD2 (0.42) ATAD2PGRKDM4EALDH1A1HPGD
SCHEMBL9835634 0.74 ATAD2 (0.44) ATAD2PGRPDE3BPDE3APDE4A
SCHEMBL9835182 0.73 ATAD2 (0.49) ATAD2MAPK14PGRPDE3BPDE3A
SCHEMBL10662924 0.72 ATAD2 (0.40) ATAD2MAPK14PGRPDE3BPDE3A
SCHEMBL2489476 0.71 ATAD2 (0.42) ATAD2PGRPDE3BPDE3APDE4A
SCHEMBL9834972 0.71 ATAD2 (0.50) ATAD2PGRPDE3BPDE3APDE4A
SCHEMBL9834421 0.71 ALDH1A1 (0.41) MAPK14PGRKDM4EALDH1A1GAA
SCHEMBL9833315 0.70 ATAD2 (0.41) ATAD2MAPK14PGRPDE3BPDE3A

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
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed