SCHEMBL9834744

SCHEMBL9834744

CC(=O)C1(C)C(=O)Nc2cc3[nH]c(C(C)C)nc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
SCN10A Q9Y5Y9 2/20 0.33
CYP1A2 P05177 1/20 0.33
MLKL Q8NB16 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
PARG Q86W56 1/20 0.31
USP2 O75604 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 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
SCHEMBL9833577 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9835803 0.83 HSP90AA1 (0.40) KDM4EHSD17B10PDE4APDE4BPDE4C
SCHEMBL9834585 0.83 PDE3B (0.51) KDM4ELMNAHSD17B10PDE4APDE4B
SCHEMBL9833692 0.82 FABP6 (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9833047 0.80 ALDH1A1 (0.42) KDM4EHSD17B10PDE4APDE4BPDE4C
SCHEMBL9833945 0.79 KDM4E (0.44) KDM4ELMNAHSD17B10PDE4APDE4B
SCHEMBL9833659 0.79 LMNA (0.46) KDM4ELMNAPDE4APDE4BPDE4C
SCHEMBL9834918 0.78 KMT2A (0.45) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL10566074 0.76 PDE4A (0.43) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL9835143 0.76 PDE4A (0.34) KDM4EPDE4APDE4BPDE4CPDE4D

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