SCHEMBL6027596

SCHEMBL6027596

c1coc(COc2cccc3cccnc23)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 5/20 0.56
POLB P06746 3/20 0.56
MAPT P10636 5/20 0.54
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 1/20 0.50
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL32679221 0.79 RAB9A (0.56) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL2487385 0.76 MAPT (0.66) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6027264 0.75 RAB9A (0.52) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6027317 0.75 MAPT (0.50) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5586004 0.75 RAB9A (0.60) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL23544480 0.75 GAA (0.45) NPC1MEN1KMT2AKDM4EPOLB
SCHEMBL6026955 0.75 NPC1 (0.62) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL29360828 0.74 NPC1 (0.77) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1101199 0.74 NPC1 (0.77) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6031547 0.74 KDM4E (0.79) RAB9ANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075483-B1 HYGROMYCIN A DERIVATIVES PFIZER PROD INC (US) 2003-12-03 EP claimed
EP-1077984-B1 2\"-DEOXY HYGROMYCIN DERIVATIVES PFIZER PROD INC (US) 2003-06-18 EP claimed
US-6342497-B1 2″-deoxy hygromycin derivatives PFIZER INC 2002-01-29 US claimed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 US claimed
EP-0445731-B1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER LAMBERT CO (US) 1996-01-10 EP claimed
US-5482938-A Azabicyclo and azacyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1996-01-09 US claimed
EP-1369490-B1 Method of preparing a composition containing hygromycin A and epi-hygromycin PFIZER PROD INC (US) 2006-02-08 EP disclosed
EP-1369490-A1 Method of preparing a composition containing hygromycin A and epi-hygromycin Pfizer Products Inc. (US) 2003-12-10 EP disclosed
EP-1075483-B1 HYGROMYCIN A DERIVATIVES PFIZER PROD INC (US) 2003-12-03 EP disclosed
EP-1077984-B1 2\"-DEOXY HYGROMYCIN DERIVATIVES PFIZER PROD INC (US) 2003-06-18 EP disclosed
US-6342497-B1 2″-deoxy hygromycin derivatives PFIZER INC 2002-01-29 US disclosed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 US disclosed