SCHEMBL27820749

SCHEMBL27820749

COc1ccc(-c2ncoc2-c2ccc(OC)c(OC)c2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK14 Q16539 3/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43

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
SCHEMBL15664662 0.89 TUBB4A (0.55) GSK3BCDK2PDGFRBPDGFRAHDAC1
SCHEMBL15665361 0.88 GSK3B (0.46) GSK3BCDK2PDGFRBPDGFRAHDAC1
SCHEMBL15665220 0.88 GSK3B (0.48) GSK3BCDK2PDGFRBPDGFRAHDAC1
SCHEMBL27840095 0.88 GSK3B (0.43) GSK3BCDK2PDGFRBPDGFRAHDAC1
SCHEMBL27820756 0.88 GSK3B (0.47) GSK3BCDK2PDGFRBPDGFRAHDAC1
SCHEMBL27915568 0.86 GSK3B (0.47) GSK3BCDK2PDGFRBPDGFRAHDAC1
SCHEMBL27820751 0.86 GSK3B (0.44) GSK3BCDK2PDGFRBPDGFRAALDH1A1
SCHEMBL27840075 0.84 ALDH1A1 (0.43) GSK3BCDK2PDGFRBPDGFRAALDH1A1
SCHEMBL27820762 0.83 MAPT (0.47) HDAC1HDAC6ALDH1A1MAPK1HPGD
SCHEMBL28807093 0.82 HDAC1 (0.48) HDAC1HDAC6ALDH1A1MAPK1HPGD

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 4 patents. 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 claimed
CN-102190625-A Stilbene tumor targeted medicine Combretastatin A4 analogs NANJING SANHOME PHARMACEUTICAL CO LTD 2011-09-21 — — CN claimed
CN-102190625-B Stilbene tumor targeted medicine Combretastatin A4 analogs NANJING SANHOME PHARMACEUTICAL CO LTD 2013-08-28 — — CN disclosed
CN-102190625-A Stilbene tumor targeted medicine Combretastatin A4 analogs NANJING SANHOME PHARMACEUTICAL CO LTD 2011-09-21 — — CN disclosed
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