SCHEMBL3209205

SCHEMBL3209205

O=C(NC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PTGS2 P35354 1/20 0.38
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38

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
SCHEMBL6677646 0.79 KDM4E (0.50) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL4043331 0.71 ALDH1A1 (0.59) KDM4EPKMALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28122950 0.70 ALDH1A1 (0.57) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL16094230 0.65 ALDH1A1 (0.59) KDM4EALDH1A1HTTKMT2AMPO
SCHEMBL1423877 0.65 SMN1; SMN2 (0.67) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL1233873 0.62 ALDH1A1 (0.55) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL6238748 0.62 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2HTTMPO
SCHEMBL2004792 0.61 ALDH1A1 (0.73) KDM4EALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL2992964 0.61 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MPOCYP1A2
SCHEMBL20916907 0.61 KDM4E (0.55) KDM4EPKMALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8257614-B2 Electrophoretic dispersions SIPIX IMAGING, INC. (US) 2012-09-04 US disclosed
US-20100040966-A1 ELECTROPHORETIC DISPERSIONS E INK CORPORATION 2010-02-18 US disclosed
US-7572394-B2 use of highly fluorinated additives for improving threshold characteristics and temperature latitude SIPIX IMAGING, INC. (US) 2009-08-11 US disclosed
EP-1687666-A4 ELECTROPHORETIC DISPERSIONS SIPIX IMAGING INC (US) 2008-03-05 EP disclosed
US-7226550-B2 Improving performance with voltage threshold promoter; using cationically charged organic pigment carrier SIPIX IMAGING, INC. (US) 2007-06-05 US disclosed
EP-1687666-A2 ELECTROPHORETIC DISPERSIONS Sipix Imaging, Inc. (US) 2006-08-09 EP disclosed
US-20050136347-A1 use of highly fluorinated additives for improving threshold characteristics and temperature latitude E INK CALIFORNIA, LLC 2005-06-23 US disclosed
WO-2005047962-A2 ELECTROPHORETIC DISPERSIONS SIPIX IMAGING, INC. (US) 2005-05-26 WO disclosed
US-20040131959-A1 Improving performance with voltage threshold promoter; using cationically charged organic pigment carrier E INK CALIFORNIA, LLC 2004-07-08 US disclosed