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SCHEMBL12374450

SCHEMBL12374450

CCc1cc(C(c2cc(CC)c(N)c(CC)c2)c2c(Cl)cccc2Cl)cc(CC)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SLC6A2 P23975 5/20 0.33
▸ SLC6A4 P31645 5/20 0.33
▸ SLC6A3 Q01959 5/20 0.33
▸ CYP3A4 P08684 4/20 0.33
▸ CYP2D6 P10635 4/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.33
▸ PNMT P11086 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MGAM O43451 1/20 0.31

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
SCHEMBL14123442 0.88 PNMT (0.35) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL12374432 0.88 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL14117907 0.87 PNMT (0.34) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL5010062 0.82 GAA (0.40) POLBHTTSLC6A2SLC6A4SLC6A3
SCHEMBL13636830 0.82 ALDH1A1 (0.32) HTTALDH1A1CYP1A1CYP1A2
SCHEMBL13069412 0.77 CYP1A2 (0.40) POLBCYP3A4CYP2D6PNMTALDH1A1
SCHEMBL5011788 0.75 HTT (0.40) POLBHTTSLC6A2SLC6A4SLC6A3
SCHEMBL28252384 0.75 HTT (0.40) POLBHTTSLC6A2SLC6A4SLC6A3
SCHEMBL14085394 0.75 PNMT (0.42) HTTSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5610847 0.74 HTT (0.39) POLBHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958992-B1 Phase change inks containing colorant compounds XEROX CORP (US) 2013-03-13 — — EP disclosed
EP-1956052-B1 Colorant compounds XEROX CORP (US) 2012-12-05 — — EP disclosed
US-8303671-B2 Mixture of basic dye and acid dye with wax XEROX CORPORATION (US) 2012-11-06 — — US disclosed
US-7997712-B2 Phase change inks containing colorant compounds XEROX CORPORATION (US) 2011-08-16 — — US disclosed
US-7997712-B2 Phase change inks containing colorant compounds XEROX CORPORATION (US) 2011-08-16 — — US disclosed
EP-1958992-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 — — EP disclosed
EP-1958993-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 — — EP disclosed
EP-1956054-A2 Colorant compounds Xerox Corporation (US) 2008-08-13 — — EP disclosed
EP-1956052-A2 Colorant compounds Xerox Corporation (US) 2008-08-13 — — EP disclosed
US-20080187664-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 — — US disclosed
US-20080187664-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 — — US disclosed
US-20080184910-A1 Mixture of basic dye and wax XEROX CORPORATION 2008-08-07 — — US disclosed
US-20080184910-A1 Mixture of basic dye and wax XEROX CORPORATION 2008-08-07 — — US disclosed
US-20080186371-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 — — US disclosed
US-20080186371-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 — — US disclosed
US-20080184911-A1 Colorant compounds XEROX CORPORATION 2008-08-07 — — US disclosed