SCHEMBL3359696

SCHEMBL3359696

CCCCCCCCCCC1=NCCN1CCO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SPHK1 Q9NYA1 3/20 0.33
LMNA P02545 2/20 0.33
SPHK2 Q9NRA0 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
DRD4 P21917 1/20 0.33
SCD O00767 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL217215 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL216893 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL9296147 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL15476247 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL1734043 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL11639090 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL9296207 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL6141492 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL1737855 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1
SCHEMBL181446 1.00 CYP1A2 (0.36) CYP1A2CYP2D6TOP2ATOP2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015061039-A1 MULTIFUNCTIONAL COMPOSITION AND METHOD FOR TREATING A METAL SURFACE WITH THE MULTIFUNCTIONAL COMPOSITION LONZA INC. (US) 2015-04-30 WO disclosed
US-20150110963-A1 Multifunctional Composition and Method For Treating a Metal Surface With the Multifunctional Composition LONZA AG (US) 2015-04-23 US disclosed
EP-1854638-B1 Reversible thermosensitive coloring material and reversible thermosensitive recording material using the same RICOH KK (JP) 2010-04-28 EP disclosed
US-7419934-B2 Reversible thermosensitive coloring material and reversible thermosensitive recording material using the reversible thermosensitive coloring material RICOH COMPANY LIMITED (JP) 2008-09-02 US disclosed
EP-1854638-A1 Reversible thermosensitive coloring material and reversible thermosensitive recording material using the same Ricoh Company, Ltd. (JP) 2007-11-14 EP disclosed
US-20070259782-A1 REVERSIBLE THERMOSENSITIVE COLORING MATERIAL AND REVERSIBLE THERMOSENSITIVE RECORDING MATERIAL USING THE REVERSIBLE THERMOSENSITIVE COLORING MATERIAL RICOH COMPANY, LIMITED (JP) 2007-11-08 US disclosed
US-6042750-A TETRAALKYLAMMONIUM HALIDE, ALKYLENEDIAMINE, ALIPHATIC HYDROCARBON HYDROXY IMIDAZOLINE, POLYOXYETHYLENE GLYCOL ESTERS AND AMINES, TRIALKANOLAMINE, AND AMINE OXYALKYLATE; PIPES Docter, Joan (US) 2000-03-28 US disclosed