SCHEMBL2902182

SCHEMBL2902182

Cc1ccc(OC(C)N)cc1OC(C)N.Cc1ccc(OCN)cc1OCN

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.37
CARM1 Q86X55 1/20 0.35
ACHE P22303 6/20 0.33
BCHE P06276 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL454008 0.86 TDP1 (0.42) TDP1SMN1; SMN2
SCHEMBL453846 0.84 AGXT (0.48) AGXTCARM1TDP1GAAKMT2A
SCHEMBL8091598 0.71 TDP1 (0.58) TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL14183057 0.68 KDM4E (0.42) ACHEBCHETDP1GAAKMT2A
SCHEMBL12180586 0.68 NQO1 (0.45) TDP1KMT2ATSHRMEN1
SCHEMBL14605587 0.68 TSHR (0.53) TDP1GAASMN1; SMN2TSHRALOX15
SCHEMBL12180740 0.68 ALDH1A1 (0.46) TDP1GAAKMT2ATSHR
SCHEMBL454009 0.67 KDM4E (0.45) CARM1SMN1; SMN2TSHR
SCHEMBL457259 0.67 KMT2A (0.45) ACHETDP1GAAKMT2ASMN1; SMN2
SCHEMBL17486448 0.66 TSHR (0.41) CARM1TDP1GAAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013131575-A1 FOAMABLE COLORING COMPOSITIONS COMPRISING A THERMO-SENSITIVE POLYMER ALFAPARF GROUP S.P.A. (IT) 2013-09-12 WO disclosed
EP-2211657-A2 AIR OXIDATION HAIR DYE APPLICATION SYSTEM AND METHOD FOR COLORING HAIR USING THE SAME Combe International Ltd. (US) 2010-08-04 EP disclosed
WO-2009058700-A2 AIR OXIDATION HAIR DYE APPLICATION SYSTEM AND METHOD FOR COLORING HAIR USING THE SAME COMBE INTERNATIONAL LTD. (US) 2009-05-07 WO disclosed
WO-2004047780-A1 METHOD AND KIT FOR THE GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2004-06-10 WO disclosed