SCHEMBL27769271

SCHEMBL27769271

COc1ccc(NCc2ccccc2O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
HTT P42858 1/20 0.66
RAB9A P51151 1/20 0.66
HIF1A Q16665 3/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
ALOX12 P18054 1/20 0.57
PHLPP2 Q6ZVD8 1/20 0.57
HSD17B10 Q99714 1/20 0.57
EGFR P00533 1/20 0.57
NOX4 Q9NPH5 1/20 0.57
CA2 P00918 5/20 0.56
CA1 P00915 4/20 0.56
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
APP P05067 2/20 0.56
HPGD P15428 1/20 0.54
GAA P10253 2/20 0.53

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
SCHEMBL11596702 0.86 MAPT (0.69) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL11593766 0.86 MAPT (0.81) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL11171070 0.81 MAPT (0.53) MAPTMEN1KMT2ARAB9AHIF1A
SCHEMBL30301294 0.81 MAPT (1.00) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL802037 0.81 MAPT (1.00) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL10886823 0.81 CA1 (0.72) MAPTHIF1AALDH1A1CYP1A2ALOX12
SCHEMBL10781073 0.80 MAPT (0.73) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL17343028 0.80 HDAC1 (0.55) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL10925241 0.80 SMN1; SMN2 (0.54) MAPTMEN1KMT2ARAB9AHIF1A
SCHEMBL12767349 0.80 GAA (0.57) MAPTMEN1KMT2ARAB9AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101624382-B 2,3-diaryl-substituted-3,4-2H-1,3-benzoxazine with bactericidal and insecticidal activity UNIV HENAN SCIENCE & TECH 2011-04-27 CN disclosed
CN-102020592-A Urea carbamate methyl substituted arly ester with bactericidal activity UNIV HENAN SCIENCE & TECH 2011-04-20 CN disclosed
CN-101624382-A 2,3-diaryl-substituted-3,4-2H-1,3-benzoxazine with bactericidal and insecticidal activity UNIV HUNAN SCI & TECHNOLOGY 2010-01-13 CN disclosed