SCHEMBL2686225

SCHEMBL2686225

CCN(CC)c1ccc(/C=C/c2cc(-c3ccc(N(CC)CC)cc3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ USP2 O75604 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CTNNB1 P35222 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ BCHE P06276 3/20 0.47
▸ ACHE P22303 3/20 0.47
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL2686228 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTUSP2
Quinoline SCHEMBL28119447 0.89 MAPT (0.50) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL11163183 0.86 RAB9A (0.53) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11163187 0.86 RAB9A (0.53) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL3752745 0.80 NPC1 (0.54) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL3754701 0.79 NPC1 (0.44) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL22026654 0.79 RPA1 (0.52) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL22026653 0.79 RPA1 (0.52) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL28240266 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL9192952 0.72 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582768-A1 ORGANIC ELECTRONIC DEVICES COMPRISING A LAYER OF A PYRIDINE COMPOUND AND A 8-HYDROXYQUINOLINOLATO EARTH ALKALINE METAL, OR ALKALI METAL COMPLEX BASF SE (DE) 2013-04-24 — — EP disclosed
US-8173343-B2 Electrophotographic photoconductor, image forming apparatus using the same, and process cartridge RICOH COMPANY, LTD. (JP) 2012-05-08 — — US disclosed
WO-2011157779-A1 ORGANIC ELECTRONIC DEVICES COMPRISING A LAYER OF A PYRIDINE COMPOUND AND A 8-HYDROXYQUINOLINOLATO EARTH ALKALINE METAL, OR ALKALI METAL COMPLEX BASF SE (DE) 2011-12-22 — — WO disclosed
US-20100015538-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING APPARATUS USING THE SAME, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2010-01-21 — — US disclosed
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