SCHEMBL11736734

SCHEMBL11736734

O=C(O)c1ccccc1C(=O)c1ccc(Nc2ccccc2Cl)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.58
TTR P02766 1/20 0.53
MAPK13 O15264 7/20 0.51
MAPK12 P53778 7/20 0.51
MAPK11 Q15759 7/20 0.51
MAPK14 Q16539 7/20 0.51
PBRM1 Q86U86 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
GRIK1 P39086 1/20 0.45
CLCN2 P51788 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL7097760 0.84 MAPK13 (0.61) TTRMAPK13MAPK12MAPK11MAPK14
SCHEMBL11736669 0.84 NR4A1 (0.53) AURKAMAPK13MAPK12MAPK11MAPK14
SCHEMBL9629955 0.83 ALDH1A1 (0.54) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL7094909 0.78 ALDH1A1 (0.56) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL7091072 0.76 KMT2A (0.57) AURKAMAPK13MAPK12MAPK11MAPK14
SCHEMBL9312496 0.76 TTR (0.73) TTRPBRM1ALDH1A1KMT2AMEN1
SCHEMBL11854080 0.76 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL8012544 0.75 KMT2A (0.57) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL27529702 0.75 MAPK14 (0.78) TTRMAPK13MAPK12MAPK11MAPK14
SCHEMBL1906421 0.75 MAPK14 (0.87) TTRMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4052398-A DIAZARHODAMINE-LACTONES, THEIR MANUFACTURE AND THEIR USE AS DYE INTERMEDIATES FOR COPYING PROCESSES BASF AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed