SCHEMBL7003454

SCHEMBL7003454

Cc1cc(O)ccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.60
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MPO P05164 4/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
TNIK Q9UKE5 1/20 0.49
RXFP1 Q9HBX9 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KIF11 P52732 1/20 0.49
IDH2 P48735 1/20 0.49
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TRPV1 Q8NER1 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
SCHEMBL3676521 0.82 TRPV1 (0.67) MAPTALDH1A1RAB9ASMN1; SMN2RXFP1
SCHEMBL18250657 0.82 RAPGEF4 (0.50) RAPGEF4MAPTGAAALDH1A1RAB9A
SCHEMBL6370648 0.82 MAPT (0.64) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL10215929 0.81 GAA (0.67) RAPGEF4MAPTGAAALDH1A1RAB9A
SCHEMBL7004055 0.80 GAA (0.64) RAPGEF4MAPTGAAALDH1A1RAB9A
SCHEMBL7001007 0.80 RAPGEF4 (0.53) RAPGEF4MAPTGAAALDH1A1RAB9A
SCHEMBL23691075 0.79 MPO (0.76) ALDH1A1MPOAKR1C3AKR1C2TDP1
SCHEMBL16411339 0.78 KIF11 (0.65) RAPGEF4MAPTGAAALDH1A1RAB9A
SCHEMBL7003152 0.77 GAA (0.60) RAPGEF4MAPTGAAALDH1A1RAB9A
SCHEMBL11566545 0.76 ALDH1A1 (0.68) RAPGEF4MAPTGAAALDH1A1RAB9A

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