SCHEMBL1801455

SCHEMBL1801455

COc1ccc(Cn2ncc(N)c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.54
MCHR1 Q99705 1/20 0.49
TSHR P16473 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CMA1 P23946 1/20 0.45
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
Sulfuric Acid SCHEMBL2923461 0.92 NPBWR1 (0.50) NPBWR1MCHR1TSHRGLAGAA
SCHEMBL3254682 0.86 TSHR (0.55) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL17458965 0.86 NPBWR1 (0.52) NPBWR1MCHR1GLAGAACYP1A2
SCHEMBL1491119 0.86 TSHR (0.67) NPBWR1MCHR1TSHRGLAGAA
SCHEMBL16784437 0.84 NPBWR1 (0.51) NPBWR1MCHR1TSHRGLAGAA
Hydrochloric Acid SCHEMBL6755818 0.84 TSHR (0.53) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL2185426 0.83 NPBWR1 (0.50) NPBWR1MCHR1TSHRGLAGAA
SCHEMBL22632875 0.82 NPBWR1 (0.52) NPBWR1MCHR1TSHRGLAGAA
SCHEMBL1802847 0.82 NPBWR1 (0.49) NPBWR1MCHR1GLAGAACYP1A2
SCHEMBL1801928 0.82 MEN1 (0.59) TSHRL3MBTL1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011619-B2 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2012-07-04 EP claimed
EP-1345580-B9 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2009-11-25 EP claimed
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP claimed
EP-1180008-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-06-07 EP claimed
EP-1345580-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2006-06-07 EP claimed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 US claimed
EP-1011619-B1 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2005-09-14 EP claimed
EP-1345579-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND OREAL (FR) 2005-06-29 EP claimed
WO-2005023209-A1 AGENT AND METHOD FOR DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-03-17 WO claimed
EP-1313434-B1 OXIDATION DYE WELLA AG (DE) 2005-01-12 EP claimed
EP-1180008-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2002-02-20 EP claimed
EP-1166748-A2 Agent and process for colouring keratinic fibres Wella Aktiengesellschaft (DE) 2002-01-02 EP claimed
WO-2001070182-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2001-09-27 WO claimed
WO-2001034104-A1 COLOURING AGENT FOR KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO claimed
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP claimed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO claimed
US-5785717-A Composition for the oxidation dyeing of keratin fibers, comprising a diaminopyrazole derivative and a heterocyclic coupler, and dyeing process L'OREAL (FR) 1998-07-28 US claimed
EP-0728464-B1 Composition for dyeing keratinous fibers comprising a diaminopyrazole derivative and a heterocyclic coupleur and dyeing process OREAL (FR) 1997-07-30 EP claimed
EP-0728464-A1 Composition for dyeing keratinous fibers comprising a diaminopyrazole derivative and a heterocyclic coupleur and dyeing process L'OREAL (FR) 1996-08-28 EP claimed
US-5534267-A Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis WELLA AKTIENGESELLSCHAFT (DE) 1996-07-09 US claimed