SCHEMBL4640070

SCHEMBL4640070

Cc1cc(N)c(C(C)O)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP7 P55210 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TERT O14746 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
CASP1 P29466 1/20 0.34
CD44 P16070 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
UHRF1 Q96T88 1/20 0.32

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
SCHEMBL6575831 0.83 ACHE (0.41) CYP3A4TSHRMAPK1GAAALDH1A1
SCHEMBL3649606 0.81 POLB (0.59) CYP3A4TSHRMAPK1GAAPOLB
SCHEMBL16932995 0.80 PTK2 (0.37) GAAALDH1A1HIF1A
SCHEMBL14044065 0.77 CD44 (0.45) CYP3A4TSHRMAPK1GAAPOLB
SCHEMBL93992 0.76 GAA (0.52) CYP3A4TSHRMAPK1GAAALDH1A1
SCHEMBL33943 0.74 CYP3A4 (0.86) CYP3A4TSHRMAPK1GAAPOLB
SCHEMBL25555727 0.73 POLB (0.61) CYP3A4TSHRMAPK1GAAPOLB
SCHEMBL25725280 0.71 POLB (0.59) CYP3A4TSHRMAPK1GAAPOLB
SCHEMBL169738 0.71 POLB (0.53) CYP3A4TSHRMAPK1GAAPOLB
SCHEMBL19840416 0.71 CYP3A4 (0.55) CYP3A4TSHRMAPK1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658507-B1 OXIDATIVE COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2019-04-24 EP claimed
EP-1598049-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2008-08-06 EP claimed
EP-1250908-B1 Hair dye KPSS KAO GMBH (DE) 2007-03-14 EP claimed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP claimed
EP-1250908-A2 Hair dye GOLDWELL GmbH (DE) 2002-10-23 EP claimed
EP-1250908-B1 Hair dye KPSS KAO GMBH (DE) 2007-03-14 EP disclosed
EP-1250910-B1 Hair dye composition KPSS KAO GMBH (DE) 2005-01-05 EP disclosed
EP-1250909-B1 Hair dye composition KPSS KAO GMBH (DE) 2004-10-06 EP disclosed
EP-1250911-B1 Hair dye composition KPSS KAO GMBH (DE) 2004-09-22 EP disclosed
EP-1250912-B1 Hair dye composition KPSS KAO GMBH (DE) 2004-09-15 EP disclosed
EP-1250908-A3 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2004-01-21 EP disclosed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP disclosed
EP-1250910-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-1250909-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-1250912-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-1250908-A2 Hair dye GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-1250908-A2 Hair dye GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-1250911-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP disclosed