SCHEMBL13523901

SCHEMBL13523901

COc1ccc(C(c2cc(C)c(N)c(C)c2)c2cc(C)c(N)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
TDP1 Q9NUW8 4/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.41
MCL1 Q07820 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 2/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13523898 0.84 SLC2A1 (0.49) SLC2A1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL22050675 0.80 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4CYP1A2TSHR
SCHEMBL13523900 0.80 ALDH1A1 (0.43) TDP1MAPK1ALDH1A1CYP3A4PKM
SCHEMBL29191309 0.80 SLC2A1 (0.41) SLC2A1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL41022 0.79 SLC2A1 (0.71) SLC2A1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL16859725 0.79 SLC2A1 (0.71) SLC2A1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL3688289 0.79 LMNA (0.42) TDP1MAPK1ALDH1A1CYP3A4PKM
SCHEMBL13523894 0.78 TDP1 (0.73) SLC2A1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL5009563 0.77 SLC2A1 (0.46) SLC2A1TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL29006384 0.77 GAA (0.40) TDP1ALDH1A1CYP3A4ACHETSHR

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