SCHEMBL10029404

SCHEMBL10029404

CCCCC(CC)C(c1ccc(N)c(OCC)c1)c1ccc(N)c(OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
NPC1 O15118 2/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CREBBP Q92793 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
SCHEMBL13523909 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EMEN1MAPT
SCHEMBL13523904 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL13539496 0.84 ACHE (0.40) ALDH1A1MAPTL3MBTL1BCHEACHE
SCHEMBL14878824 0.81 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRPDE4DTDP1
SCHEMBL13013695 0.79 KDM4E (0.33) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL14878835 0.79 ERAP2 (0.30) ERAP2LNPEP
SCHEMBL13015080 0.77 PDE4D (0.36) ALDH1A1HSD17B10BCHEACHETSHR
SCHEMBL13014960 0.75 KDM4E (0.31) ALDH1A1KDM4EMAPK1TDP1ERAP2
SCHEMBL689624 0.75 MAPT (0.37) ALDH1A1KDM4EMAPTMAPK1L3MBTL1
SCHEMBL13523902 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EMEN1MAPT

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 13 patents. 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
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-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
EP-2251383-A1 Organic compounds 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
WO-2008012322-A1 BASIC BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2008-01-31 WO disclosed