SCHEMBL7003883

SCHEMBL7003883

COc1ccc(Nc2cccc(C)c2)c(C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.73
AKR1C3 P42330 5/20 0.62
AKR1C2 P52895 5/20 0.62
RAPGEF4 Q8WZA2 1/20 0.54
ACHE P22303 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL21883722 0.87 RAPGEF4 (0.67) GAAAKR1C3AKR1C2RAPGEF4ACHE
SCHEMBL502786 0.85 GAA (1.00) GAAAKR1C3AKR1C2SMN1; SMN2NPC1
SCHEMBL10912994 0.83 GAA (0.51) GAAAKR1C3AKR1C2SMN1; SMN2NPC1
SCHEMBL5608725 0.83 NPSR1 (0.59) GAAAKR1C3AKR1C2RAPGEF4SMN1; SMN2
SCHEMBL9479715 0.82 GAA (0.93) GAAAKR1C3AKR1C2SMN1; SMN2NPC1
SCHEMBL6999192 0.81 GAA (0.75) GAAAKR1C3AKR1C2ACHESMN1; SMN2
SCHEMBL4230288 0.81 GAA (0.64) GAARAPGEF4ACHESMN1; SMN2ADRA2A
SCHEMBL25634740 0.81 GAA (0.80) GAAAKR1C3AKR1C2SMN1; SMN2NPC1
SCHEMBL9594507 0.81 AKR1C3 (0.82) GAAAKR1C3AKR1C2SMN1; SMN2NPC1
SCHEMBL7004055 0.81 GAA (0.64) GAAAKR1C3AKR1C2RAPGEF4SMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
EP-1107972-A1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN Ciba SC Holding AG (CH) 2001-06-20 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
WO-2000012513-A1 NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
EP-0546577-B1 Crystal modification of 2-(3-methylanilino)-3-methyl-6-diethylaminofluoran, process for the preparation thereof, and recording materials containing said crystal modification YAMAMOTO CHEMICALS INC (JP) 1996-10-16 EP disclosed
EP-0526856-B1 Crystal modifications of 2-m-toluidino-3-methyl-6-di-n-butylaminofluoran, process for preparing thereof, and recording materials containing said crystal modifications YAMAMOTO CHEMICALS INC (JP) 1996-10-16 EP disclosed
US-5438032-A Electron donating color former containing alpha-type crystals for reacting with electron accepting color developer to form image; solvent solubility, storage stability, color rendition, colorfastness YAMAMOTO CHEMICALS, INC. (JP) 1995-08-01 US disclosed
US-5376617-A Heat sensitive, pressure sensitive recording material YAMAMOTO CHEMICALS, INC. (JP) 1994-12-27 US disclosed
US-5342967-A Solubility YAMAMOTO CHEMICALS, INC. (JP) 1994-08-30 US disclosed
US-5338866-A Reacting 2-(2-hydroxy-4-diethylaminobenzoyl)benzoic acid with 2,3'-dimethyl-4-alkoxydiphenylamine in presence of condensing/ dehydrating agent YAMAMOTO CHEMICALS, INC. (JP) 1994-08-16 US disclosed
EP-0546577-A1 Crystal modification of 2-(3-methylanilino)-3-methyl-6-diethylaminofluoran, process for the preparation thereof, and recording materials containing said crystal modification Yamamoto Chemicals, Inc. (JP) 1993-06-16 EP disclosed
EP-0526856-A2 Crystal modifications of 2-m-toluidino-3-methyl-6-di-n-butylaminofluoran, process for preparing thereof, and recording materials containing said crystal modifications Yamamoto Chemicals, Inc. (JP) 1993-02-10 EP disclosed