SCHEMBL7002502

SCHEMBL7002502

COc1ccc(Nc2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.71
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 2/20 0.62
POLB P06746 2/20 0.62
AKR1C3 P42330 3/20 0.58
AKR1C2 P52895 3/20 0.58
SLC2A1 P11166 1/20 0.58
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ACP1 P24666 1/20 0.47
NPC1 O15118 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL25634740 0.90 GAA (0.80) GAAMAPTMEN1KMT2ALMNA
SCHEMBL2952972 0.86 GAA (0.75) GAAMAPTMEN1KMT2ALMNA
SCHEMBL6999192 0.86 GAA (0.75) GAAMAPTMEN1KMT2ALMNA
SCHEMBL9479715 0.83 GAA (0.93) GAAMAPTMEN1KMT2ALMNA
SCHEMBL10785640 0.83 MAPT (0.62) GAAMAPTMEN1KMT2ALMNA
SCHEMBL502786 0.83 GAA (1.00) GAAMAPTMEN1KMT2ALMNA
SCHEMBL31267264 0.81 AKR1C3 (0.64) GAAMAPTMEN1KMT2ALMNA
SCHEMBL10655147 0.81 GAA (0.82) GAAMAPTMEN1KMT2ALMNA
SCHEMBL186440 0.80 GAA (0.65) GAAMAPTMEN1KMT2ALMNA
SCHEMBL25633969 0.80 GAA (0.65) GAAMAPTMEN1KMT2ALMNA

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 8 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
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
EP-0176161-A1 Novel fluoran compounds and production and use thereof TAOKA CHEMICAL CO., LTD (JP) 1986-04-02 EP disclosed