SCHEMBL7001007

SCHEMBL7001007

Cc1cccc(Nc2ccc(O)cc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
RUNX1 Q01196 1/20 0.51
CBFB Q13951 1/20 0.51
ACHE P22303 1/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL6328735 0.86 RAPGEF4 (0.67) RAPGEF4GAAMAPTALDH1A1HSD17B10
SCHEMBL5608725 0.85 NPSR1 (0.59) RAPGEF4NPSR1GAAMAPTAKR1C3
SCHEMBL7003152 0.84 GAA (0.60) RAPGEF4GAAMAPTALDH1A1HSD17B10
SCHEMBL44754 0.82 NPSR1 (0.55) RAPGEF4NPSR1GAAMAPTHSD17B10
SCHEMBL7003046 0.80 GAA (0.53) RAPGEF4GAAMAPTALDH1A1HSD17B10
SCHEMBL7003454 0.80 RAPGEF4 (0.60) RAPGEF4NPSR1GAAMAPTALDH1A1
SCHEMBL22887353 0.80 CDC25B (0.58) AKR1C3AKR1C2TRPV1
SCHEMBL7003942 0.80 RAPGEF4 (0.64) RAPGEF4GAAMAPTALDH1A1HSD17B10
SCHEMBL7644039 0.79 GAA (0.61) RAPGEF4GAAMAPTALDH1A1HSD17B10
SCHEMBL11235317 0.78 NPSR1 (0.70) RAPGEF4NPSR1GAAMAPTALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-5376617-A Heat sensitive, pressure sensitive recording material YAMAMOTO CHEMICALS, INC. (JP) 1994-12-27 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