SCHEMBL27934209

SCHEMBL27934209

COc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 14/20 0.67
MAPK12 P53778 14/20 0.67
MAPK11 Q15759 14/20 0.67
MAPK14 Q16539 14/20 0.67
RAF1 P04049 10/20 0.67
MAPT P10636 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MAPK9 P45984 1/20 0.66
TP53 P04637 1/20 0.64
NOX1 Q9Y5S8 2/20 0.62
SMPD3 Q9NY59 1/20 0.62
GCGR P47871 4/20 0.61
ALOX5 P09917 1/20 0.61
BRAF P15056 1/20 0.57

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
SCHEMBL15075623 0.88 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6465030 0.85 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL18292684 0.84 MAPT (0.69) MAPK14MAPTKDM4EALDH1A1LMNA
SCHEMBL67025 0.82 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469484 0.82 NOX1 (0.88) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7645951 0.82 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL69956 0.81 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2949385 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7228717 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469341 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1

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
CN-102190625-B Stilbene tumor targeted medicine Combretastatin A4 analogs NANJING SANHOME PHARMACEUTICAL CO LTD 2013-08-28 CN disclosed