SCHEMBL7091072

SCHEMBL7091072

Cc1cccc(Nc2ccc(C(=O)c3ccccc3C(=O)O)c(O)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 3/20 0.57
XDH P47989 1/20 0.56
SLC22A12 Q96S37 1/20 0.56
POLB P06746 2/20 0.54
NPSR1 Q6W5P4 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
AURKA O14965 1/20 0.46
MAPK8 P45983 1/20 0.46
AURKB Q96GD4 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
SCHEMBL7094909 0.89 ALDH1A1 (0.56) KMT2AALDH1A1MEN1XDHSLC22A12
SCHEMBL9629955 0.89 ALDH1A1 (0.54) KMT2AALDH1A1MEN1XDHSLC22A12
SCHEMBL7097760 0.82 MAPK13 (0.61) KMT2AALDH1A1MEN1POLBCYP3A4
SCHEMBL12325927 0.81 ALDH1A1 (0.68) KMT2AALDH1A1MEN1POLBCYP3A4
SCHEMBL11736669 0.81 NR4A1 (0.53) KMT2AALDH1A1MEN1XDHSLC22A12
SCHEMBL8012544 0.81 KMT2A (0.57) KMT2AALDH1A1MEN1XDHSLC22A12
SCHEMBL11854080 0.79 MAPK13 (0.54) KMT2AALDH1A1CYP3A4CYP2C9AKR1C3
SCHEMBL2000058 0.78 KMT2A (0.63) KMT2AALDH1A1MEN1XDHSLC22A12
SCHEMBL17821172 0.77 KMT2A (0.59) KMT2AALDH1A1MEN1POLBCYP3A4
SCHEMBL11736734 0.76 AURKA (0.58) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2

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 12 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
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-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
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
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