SCHEMBL1165563

SCHEMBL1165563

COCCOCCOCCc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
CYP19A1 P11511 5/20 0.47
MAOB P27338 5/20 0.43
MAOA P21397 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
RECQL P46063 1/20 0.37
MET P08581 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9519264 0.91 GFER (0.45) GFERCYP19A1MAOBMAOANPC1
SCHEMBL5633487 0.89 MAOB (0.47) GFERCYP19A1MAOBMAOANPC1
SCHEMBL5659 0.87 GFER (0.59) GFERCYP19A1MAOBMAOANPC1
SCHEMBL27735738 0.87 GFER (0.65) GFERCYP19A1MAOBMAOANPC1
Hydrochloric Acid SCHEMBL11206003 0.85 GFER (0.56) GFERCYP19A1MAOBMAOANPC1
SCHEMBL7146312 0.82 GFER (0.52) GFERCYP19A1MAOBMAOANPC1
SCHEMBL8447026 0.82 KCNH2 (0.51) TAAR1ALDH1A1
SCHEMBL8417751 0.82 TAAR1 (0.45) MAOBMAOANPC1RAB9ATAAR1
SCHEMBL12477381 0.82 TDP1 (0.41) GFERCYP19A1MAOBMAOARAB9A
SCHEMBL20234816 0.82 KCNH2 (0.51) TAAR1ALDH1A1

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
US-7892517-B2 Process for derivatizing carbon nanotubes with diazonium species and compositions thereof WILLIAM MARSH UNIVERSITY (US) 2011-02-22 US disclosed
US-7691359-B2 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2010-04-06 US disclosed
US-20090301896-A1 PROCESS FOR DERIVATIZING CARBON NANOTUBES WITH DIAZONIUM SPECIES AND COMPOSITIONS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2009-12-10 US disclosed
US-7384815-B2 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2008-06-10 US disclosed
US-20080093224-A1 PROCESS FOR DERIVATIZING CARBON NANOTUBES WITH DIAZONIUM SPECIES AND COMPOSITIONS THEREOF WILLIAM MARSH RICE UNIVERSITY 2008-04-24 US disclosed
US-7304103-B2 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2007-12-04 US disclosed
US-7250147-B2 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2007-07-31 US disclosed
US-20050207963-A1 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2005-09-22 US disclosed
US-20050074390-A1 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2005-04-07 US disclosed
US-20050074613-A1 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2005-04-07 US disclosed
US-20040071624-A1 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2004-04-15 US disclosed
WO-2002060812-A2 PROCESS FOR DERIVATIZING CARBON NANOTUBES WITH DIAZONIUM SPECIES AND COMPOSITIONS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2002-08-08 WO disclosed