SCHEMBL7097760

SCHEMBL7097760

Cc1ccccc1Nc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.61
MAPK12 P53778 9/20 0.61
MAPK11 Q15759 9/20 0.61
MAPK14 Q16539 9/20 0.61
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 4/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
TAS2R14 Q9NYV8 1/20 0.50
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 2/20 0.46
LMNA P02545 2/20 0.46
AKR1B10 O60218 1/20 0.46
TRPA1 O75762 1/20 0.46
ABCB11 O95342 1/20 0.46
DHFR P00374 1/20 0.46
MPO P05164 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL11854080 0.91 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL11736734 0.84 AURKA (0.58) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL11850045 0.84 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL7094909 0.84 ALDH1A1 (0.56) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL9629955 0.83 ALDH1A1 (0.54) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL27718639 0.82 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7091072 0.82 KMT2A (0.57) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL11736669 0.78 NR4A1 (0.53) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL8012544 0.78 KMT2A (0.57) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL9799041 0.78 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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 14 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
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
EP-0853078-B1 Purification process of keto acids CIBA SC HOLDING AG (CH) 2000-08-16 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
US-5917086-A Purification process CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-06-29 US disclosed
EP-0853078-A1 Purification process of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP disclosed
US-4052398-A DIAZARHODAMINE-LACTONES, THEIR MANUFACTURE AND THEIR USE AS DYE INTERMEDIATES FOR COPYING PROCESSES BASF AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-3997541-A Lactones of the benzazaxanthene series and dye-forming components for duplication processes BASF AKTIENGESELLSCHAFT (DT) 1976-12-14 US disclosed
US-3931182-A Lactones of the diazaxanthene series, their production and their use as dye-forming components for copying methods BASF AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed