SCHEMBL7004055

SCHEMBL7004055

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
AKR1C3 P42330 2/20 0.64
AKR1C2 P52895 2/20 0.64
APP P05067 1/20 0.54
RAPGEF4 Q8WZA2 1/20 0.54
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
GAK O14976 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 1/20 0.47
KDR P35968 1/20 0.47
IDH2 P48735 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 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
SCHEMBL6372247 0.82 GSK3A (0.66) AKR1C3AKR1C2MAPTLMNARAB9A
SCHEMBL6378836 0.82 ALDH1A1 (0.67) GAAMAPTLMNAALDH1A1TDP1
SCHEMBL22864104 0.82 AKR1C3 (0.61) GAAAKR1C3AKR1C2APPRAPGEF4
SCHEMBL9069757 0.81 APP (0.71) GAAAKR1C3AKR1C2APPRAPGEF4
SCHEMBL7003883 0.81 GAA (0.73) GAAAKR1C3AKR1C2RAPGEF4MAPT
SCHEMBL7003454 0.80 RAPGEF4 (0.60) GAAAKR1C3AKR1C2RAPGEF4MAPT
SCHEMBL10215929 0.79 GAA (0.67) GAAAKR1C3AKR1C2RAPGEF4MAPT
SCHEMBL502786 0.79 GAA (1.00) GAAAKR1C3AKR1C2MAPTLMNA
SCHEMBL2328747 0.77 AKR1C3 (0.63) AKR1C3AKR1C2APPMAPTMAPK1
SCHEMBL9479715 0.76 GAA (0.93) GAAAKR1C3AKR1C2MAPTLMNA

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 7 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