SCHEMBL13523909

SCHEMBL13523909

CCOc1cc(C(c2ccc(N)c(OCC)c2)C(CC)CC)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 4/20 0.58
HSD17B10 Q99714 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 2/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.39
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
CREBBP Q92793 1/20 0.38
GAA P10253 3/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL10029404 0.88 ALDH1A1 (0.49) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL13523902 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL14878838 0.77 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL13523911 0.77 MAPT (0.54) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL13523897 0.77 CYP3A4 (0.43) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL13013664 0.75 TDP1 (0.38) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL14878826 0.75 ALDH1A1 (0.33) ALDH1A1HSD17B10HPGDUSP2GAA
SCHEMBL2026347 0.74 ALDH1A1 (0.70) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL136308 0.74 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL29769304 0.74 ALDH1A1 (0.70) ALDH1A1MAPTHSD17B10KDM4EMEN1

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 6 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
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