Pentamidine

Pentamidine

SCHEMBL6906034

N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.[Pt]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.96
F2 P00734 2/20 0.96
ST14 Q9Y5Y6 2/20 0.96
TMPRSS2 O15393 2/20 0.96
PLAU P00749 1/20 0.96
PRMT5 O14744 1/20 0.96
SLC22A2 O15244 1/20 0.96
SLC22A1 O15245 1/20 0.96
PTP4A3 O75365 1/20 0.96
SLC22A3 O75751 1/20 0.96
F10 P00742 1/20 0.96
PLG P00747 1/20 0.96
S100B P04271 1/20 0.96
CHRM2 P08172 1/20 0.96
CHRM4 P08173 1/20 0.96
CHRM5 P08912 1/20 0.96
ADRA2A P08913 1/20 0.96
CYP2D6 P10635 1/20 0.96
AOC1 P19801 1/20 0.96
MAOA P21397 1/20 0.96

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
Heptamidine SCHEMBL14599630 0.98 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599628 0.98 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599631 0.98 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599639 0.98 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL3329 0.98 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Hexamidine SCHEMBL144738 0.98 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL3227 0.96 PRSS1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Hexamidine SCHEMBL306398 0.96 PRMT1 (0.96) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL7060561 0.96 PRSS1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Hexamidine SCHEMBL3629982 0.96 PRSS1 (1.00) PRMT1F2ST14TMPRSS2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693125-B2 ADMINISTERING THE DRUGS PENTAMIDINE, AND ONE OF ALBENDAZOLE, MEBENDAZOLE, OR OXIBENDAZOLE; SYNERGISTIC COMBINATORX INCORPORATED 2004-02-17 US claimed