SCHEMBL6224497

SCHEMBL6224497

CCOc1cc(C)cc(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CREBBP Q92793 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36

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
SCHEMBL6701694 0.81 POLB (0.43) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL4730926 0.76 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL29484450 0.75 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL6712390 0.75 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL1188721 0.75 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL13021620 0.75 MAPT (0.42) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL10196371 0.73 TSHR (0.53) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL8503295 0.72 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL7028420 0.72 MAPT (0.64) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL24488860 0.71 PDE3B (0.40) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003074016-A1 METHOD OF GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2003-09-12 — — WO claimed
WO-2003055457-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 — — WO claimed
WO-2003055458-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 — — WO claimed
EP-3463264-A1 METHOD FOR TREATING HAIR Kao Corporation (JP) 2019-04-10 — — EP disclosed
WO-2017207768-A1 METHOD FOR TREATING HAIR KAO CORPORATION (JP) 2017-12-07 — — WO disclosed
EP-2914346-A1 PROCESS FOR STRAIGHTENING AND DYEING HAIR Kao Corporation (JP) 2015-09-09 — — EP disclosed
WO-2014067702-A1 PROCESS FOR STRAIGHTENING AND DYEING HAIR KAO CORPORATION (JP) 2014-05-08 — — WO disclosed
EP-1555993-A2 PERMANENT COLORING OF HAIR USING AN OXIDATION HAIR DYE PRECURSOR AND A METAL CYANATE UNILEVER PLC (GB) 2005-07-27 — — EP disclosed
WO-2004039341-A2 PERMANENT COLORING OF HAIR USING AN OXIDATION HAIR DYE PRECURSOR AND A METAL CYANATE UNILEVER PLC (GB) 2004-05-13 — — WO disclosed
WO-2003055458-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 — — WO disclosed
WO-2003055457-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 — — WO disclosed
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