SCHEMBL2064883

SCHEMBL2064883

N#CCCNc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.44
LTA4H P09960 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CDK2 P24941 1/20 0.41
FLT4 P35916 1/20 0.41
SPR P35270 1/20 0.40
MEN1 O00255 1/20 0.39
ABCC9 O60706 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39

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
Hydrochloric Acid SCHEMBL7430895 0.80 GAA (0.53) GAARAB9ALMNAALDH1A1LTA4H
SCHEMBL141474 0.77 GAA (0.58) GAAHTTALDH1A1THRBL3MBTL1
SCHEMBL4572901 0.76 RAB9A (0.50) GAARAB9ALMNALTA4HCDK2
SCHEMBL3643530 0.76 RAB9A (0.54) GAARAB9ALMNAALDH1A1LTA4H
SCHEMBL27316413 0.76 RAB9A (0.50) GAARAB9ALTA4HCYP11B2CDK2
SCHEMBL4383419 0.76 RAB9A (0.50) GAARAB9ALMNAHTTALDH1A1
SCHEMBL15055378 0.76 RAB9A (0.50) GAARAB9ALMNALTA4HCDK2
SCHEMBL11252585 0.75 HTT (0.61) GAAHTTALDH1A1THRBMEN1
SCHEMBL22851453 0.74 RAB9A (0.53) GAARAB9AALDH1A1LTA4HCDK2
SCHEMBL11252528 0.74 GAA (0.70) GAAHTTALDH1A1THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101052690-B Dye-based inks HEWLETT PACKARD DEVELOPMENT CO 2011-07-27 CN claimed
US-7674328-B2 Dye-based ink HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-03-09 US claimed
CN-101052690-A Dye-based inks HEWLETT PACKARD DEVELOPMENT CO (US) 2007-10-10 CN claimed
EP-1794246-A1 DYE-BASED INK Hewlett-Packard Development Company, L.P. (US) 2007-06-13 EP claimed
WO-2006036367-A1 DYE-BASED INK HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-04-06 WO claimed
US-20050199155-A1 Dye-based ink HEWLETT-PACKARD DEVELOPMENT COMPANY, LP 2005-09-15 US claimed
US-8147602-B2 Dye-based ink HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-04-03 US disclosed
CN-101052690-B Dye-based inks HEWLETT PACKARD DEVELOPMENT CO 2011-07-27 CN disclosed
US-20100112222-A1 DYE-BASED INK LAUW HIANG P 2010-05-06 US disclosed
US-7674328-B2 Dye-based ink HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-03-09 US disclosed
CN-101052690-A Dye-based inks HEWLETT PACKARD DEVELOPMENT CO (US) 2007-10-10 CN disclosed
EP-1794246-A1 DYE-BASED INK Hewlett-Packard Development Company, L.P. (US) 2007-06-13 EP disclosed
WO-2006036367-A1 DYE-BASED INK HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-04-06 WO disclosed
US-20050199155-A1 Dye-based ink HEWLETT-PACKARD DEVELOPMENT COMPANY, LP 2005-09-15 US disclosed