SCHEMBL690546

SCHEMBL690546

CCC(CC)C(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 8/20 0.38
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 5/20 0.38
TSHR P16473 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
GFER P55789 2/20 0.38
PSMD14 O00487 1/20 0.38
RECQL P46063 1/20 0.38
ACHE P22303 1/20 0.36
GAA P10253 2/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL13460233 0.92 ACHE (0.52) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL689624 0.84 MAPT (0.37) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL14878826 0.84 ALDH1A1 (0.33) TDP1ALDH1A1TSHRGAAALOX15
SCHEMBL13523885 0.79 ALDH1A1 (0.37) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL13014954 0.79 KDM4E (0.35) TDP1ALDH1A1MAPK1GAAKDM4E
SCHEMBL2783428 0.77 AOC3 (0.39) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL5710087 0.76 ESR1 (0.60) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL20622885 0.76 AOC3 (0.38) TDP1ALDH1A1TSHRL3MBTL1MAPK1
SCHEMBL1596487 0.76 MAPT (0.57) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL2971293 0.75 ADRA2A (0.52) MAPTMEN1KMT2ATDP1ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049599-B1 BASIC BISAZO COMPOUNDS ARCHROMA IP GMBH (CH) 2017-02-22 EP disclosed
EP-2049599-B1 BASIC BISAZO COMPOUNDS ARCHROMA IP GMBH (CH) 2017-02-22 EP disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
EP-2430099-B1 ORGANIC COMPOUNDS CLARIANT FINANCE BVI LTD (VG) 2013-07-31 EP disclosed
EP-2430099-B1 ORGANIC COMPOUNDS CLARIANT FINANCE BVI LTD (VG) 2013-07-31 EP disclosed
EP-2251387-B1 Acidic azo dyes CLARIANT INT LTD (CH) 2012-02-29 EP disclosed
WO-2010130381-A1 ORGANIC COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2010-11-18 WO disclosed
WO-2010130386-A1 ACIDIC AZO DYES CLARIANT INTERNATIONAL LTD (CH) 2010-11-18 WO disclosed
EP-2251387-A1 Acidic azo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251384-A1 Pyrazolone monoazo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
EP-2078737-A1 Basic monoazo compounds Clariant International Ltd. (CH) 2009-07-15 EP disclosed
EP-2078737-A1 Basic monoazo compounds Clariant International Ltd. (CH) 2009-07-15 EP disclosed
EP-2049599-A1 BASIC BISAZO COMPOUNDS Clariant International Ltd. (CH) 2009-04-22 EP disclosed
WO-2008012322-A1 BASIC BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2008-01-31 WO disclosed
WO-2008012322-A1 BASIC BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2008-01-31 WO disclosed