SCHEMBL3241764

SCHEMBL3241764

CCC(Nc1ccc(N)cc1)Nc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.54
L3MBTL1 Q9Y468 5/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 4/20 0.54
TSHR P16473 4/20 0.54
THRB P10828 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSP90AA1 P07900 1/20 0.54
CASP1 P29466 1/20 0.54
HIF1A Q16665 1/20 0.54
MAPT P10636 3/20 0.38
ALOX12 P18054 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NR4A1 P22736 1/20 0.38

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
SCHEMBL249357 0.84 L3MBTL1 (0.78) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL4619993 0.83 TDP1 (0.40) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL21799857 0.82 ALDH1A1 (0.48) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL21799725 0.81 L3MBTL1 (0.48) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL21799584 0.81 TDP1 (0.48) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL445994 0.78 TDP1 (0.45) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL475453 0.78 TDP1 (0.56) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL28349412 0.78 TDP1 (0.42) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL2486316 0.78 ALDH1A1 (0.55) TDP1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL21799611 0.77 ALDH1A1 (0.54) TDP1L3MBTL1ALDH1A1CYP3A4TSHR

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP claimed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
EP-1434560-A1 METHOD FOR DYEING AND SUBSEQUENT BLEACHING OF HAIR Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO claimed
WO-2003030849-A1 METHOD FOR DYEING AND SUBSEQUENT BLEACHING OF HAIR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2000038632-A1 METHOD FOR DYING KERATIN FIBERS USING 2-OXOCARBOXYLIC ACID DERIVATIVES IN CONJUNCTION WITH NUCLEOPHILES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
EP-0998256-A1 USE OF DI- AND OLIGOACYLAROMATS FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-05-10 EP claimed
WO-1999004754-A1 USE OF DI- AND OLIGOACYLAROMATS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-04 WO claimed
EP-2209461-A1 HAIR TREATMENT AGENT HAVING LYCHEE EXTRACT AND TAURINE Henkel AG & Co. KGaA (DE) 2010-07-28 EP disclosed
EP-2192958-A1 OXIDATIVE HAIR TREATMENT WITH REDUCED DAMAGE TO HAIR Henkel AG & Co. KGaA (DE) 2010-06-09 EP disclosed
WO-2009062806-A2 HAIR-TREATMENT COMPOSITION WITH LITCHI EXTRACT AND IMIDAZOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2009-05-22 WO disclosed
WO-2009062804-A1 HAIR TREATMENT AGENT HAVING LYCHEE EXTRACT AND TAURINE HENKEL AG & CO. KGAA (DE) 2009-05-22 WO disclosed
WO-2000061090-A1 METHOD AND COLORANT FOR DYEING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-10-19 WO disclosed
WO-2000061091-A1 COLOURING AGENT AND THE USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-10-19 WO disclosed
WO-2000061087-A1 COLORANTS CONTAINING 4-AMINO-2( (DIETHYLAMINO) METHYL)PHENOL AND THEIR USE FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-10-19 WO disclosed
WO-2000061088-A1 COLORANTS CONTAINING 4-AMINO-2-AMINOMETHYL-PHENOL DERIVATIVES AND THEIR USE FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-10-19 WO disclosed
WO-2000061089-A1 COLORANTS AND USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-10-19 WO disclosed