Pentamidine

Pentamidine

SCHEMBL5014184

N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO.[La]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.97
LMNA P02545 2/20 0.97
POLB P06746 2/20 0.97
RAB9A P51151 2/20 0.97
SMN1; SMN2 Q16637 2/20 0.97
NPC1 O15118 1/20 0.97
MAPT P10636 1/20 0.97
ALOX15 P16050 1/20 0.97
BRCA1 P38398 1/20 0.97
HTT P42858 1/20 0.97
KDM4E B2RXH2 1/20 0.97
GMNN O75496 1/20 0.97
PKM P14618 1/20 0.97
THPO P40225 1/20 0.97
MTOR P42345 1/20 0.97
RECQL P46063 1/20 0.97
BLM P54132 1/20 0.97
HIF1A Q16665 1/20 0.97
PRMT1 Q99873 3/20 0.67
F2 P00734 2/20 0.67

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
Hexamidine SCHEMBL985947 0.99 ALDH1A1 (1.00) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL27719324 0.99 ALDH1A1 (1.00) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Hexamidine SCHEMBL128384 0.99 ALDH1A1 (1.00) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL33615 0.99 ALDH1A1 (1.00) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL19462606 0.97 ALDH1A1 (0.97) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL2658011 0.96 ALDH1A1 (0.95) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL23063972 0.95 ALDH1A1 (0.92) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Propamidine SCHEMBL293021 0.94 ALDH1A1 (0.92) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL16050177 0.92 ALDH1A1 (0.88) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL18007221 0.92 ALDH1A1 (0.88) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2

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
EP-1961022-A1 ULTRACAPACITOR PRESSURE CONTROL SYSTEM Maxwell Technologies, Inc. (US) 2008-08-27 EP disclosed
WO-2007062125-A1 ULTRACAPACITOR PRESSURE CONTROL SYSTEM MAXWELL TECHNOLOGIES, INC. (US) 2007-05-31 WO disclosed