SCHEMBL3371394

SCHEMBL3371394

Cc1ccc(N)c(N)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TSHR P16473 4/20 0.41
CASP1 P29466 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
CYP3A4 P08684 5/20 0.39
POLB P06746 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 3/20 0.36
THRB P10828 2/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3359993 0.83 POLB (0.48) CD44ALDH1A1TSHRCASP1MAPT
SCHEMBL1201436 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCASP1MAPTKDM4E
SCHEMBL126200 0.79 ALDH1A1 (0.43) ALDH1A1TSHRCASP1MAPTKDM4E
SCHEMBL12867149 0.79 TSHR (0.46) ALDH1A1TSHRCASP1MAPTKDM4E
SCHEMBL29631738 0.79 ALDH1A1 (0.43) ALDH1A1TSHRCASP1MAPTKDM4E
SCHEMBL4958689 0.77 ALOX15 (0.39) CD44ALDH1A1TSHRCASP1MAPT
SCHEMBL11326454 0.77 ALDH1A1 (0.42) ALDH1A1TSHRCASP1MAPTKDM4E
Hydrochloric Acid SCHEMBL31026623 0.77 ALDH1A1 (0.42) ALDH1A1TSHRCASP1MAPTKDM4E
Hydrochloric Acid SCHEMBL29285342 0.77 ALDH1A1 (0.42) ALDH1A1TSHRCASP1MAPTKDM4E
SCHEMBL25370491 0.75 ALDH1A1 (0.40) ALDH1A1TSHRCASP1MAPTKDM4E

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
WO-2015086675-A1 PROCESS FOR DYEING KERATIN FIBRES USING COLOURED OLIGOMERS AND/OR POLYMERS DERIVED FROM SELF-OXIDIZING COMPOUNDS, COMPOSITION AND COLOURING AGENT FOR THE SAME L'OREAL (FR) 2015-06-18 WO disclosed
CN-1977794-B Composition comprising at least one 3-amino-pyrazolopyridine derivatives OREAL 2014-09-03 CN disclosed
EP-1756230-B1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULPHONIC-ACID AZO DYES BASF SE (DE) 2010-11-03 EP disclosed
EP-1756230-A1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULPHONIC-ACID AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2007-02-28 EP disclosed
WO-2005113681-A1 METHOD FOR PRODUCING A LIQUID FORMULATION OF SALTS OF SULPHONIC-ACID AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 WO disclosed
US-4124500-A PHENOLIC ACTIVATOR PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-11-07 US disclosed