SCHEMBL6026657

SCHEMBL6026657

c1cnc2c(OCc3ccncc3)cccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.74
RAB9A P51151 6/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
MAPT P10636 6/20 0.60
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 2/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAPK1 P28482 2/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.52
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
PIM1 P11309 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1101199 0.88 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29360828 0.88 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4754679 0.87 NPC1 (0.74) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL24430062 0.85 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6027132 0.85 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6021122 0.85 NPC1 (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6027050 0.84 NPC1 (0.75) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6921611 0.84 NPC1 (0.66) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6026781 0.84 MEN1 (0.75) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6021387 0.83 NPC1 (0.74) NPC1RAB9AMEN1KMT2AMAPT

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-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
EP-1077984-A1 2\"-DEOXY HYGROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2001-02-28 EP disclosed
WO-1999057127-A1 2'-DEOXY HYGROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-11-11 WO disclosed