Pibrozelesin

Pibrozelesin

SCHEMBL14499178

COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PDE1A P54750 6/20 0.37
PDE1B Q01064 6/20 0.37
PDE1C Q14123 6/20 0.37
HRH4 Q9H3N8 8/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CFD P00746 1/20 0.31
SYK P43405 1/20 0.31
POLB P06746 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
Pibrozelesin SCHEMBL29352513 0.99 P4HB (0.44) P4HBHSP90AA1PDE1APDE1BPDE1C
SCHEMBL7469393 0.91 P4HB (0.41) P4HBHSP90AA1PDE1APDE1BPDE1C
SCHEMBL7474659 0.83 P4HB (0.37) P4HBHSP90AA1HRH4CFDSYK
SCHEMBL14012235 0.80 HRH4 (0.45) HRH4POLB
SCHEMBL13410096 0.80 HRH4 (0.34) HRH4
SCHEMBL13401447 0.79 SYK (0.39) HRH4SYK
SCHEMBL2109409 0.79
Bromide SCHEMBL2036664 0.79
SCHEMBL13401608 0.79 TSHR (0.34) HRH4
SCHEMBL14012308 0.79 TSHR (0.34) HRH4

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-7235578-B2 Processes for preparing 3-substituted 1-(chloromethyl)-1,2-dihydro-3H-[ring fused indol-5-yl-(amine-derived)] compounds and analogues thereof, and to products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2007-06-26 US disclosed
US-7235578-B2 Processes for preparing 3-substituted 1-(chloromethyl)-1,2-dihydro-3H-[ring fused indol-5-yl-(amine-derived)] compounds and analogues thereof, and to products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2007-06-26 US disclosed