SCHEMBL13869677

SCHEMBL13869677

Cc1c(-c2cnc(-c3ccc4c5ccc(-c6ccc(-c7cc8ccc9ccccc9c8oc7=O)n6C)cc5n(C)c4c3)cn2)c(=O)oc2ccc3ccccc3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ HPGD P15428 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ GAA P10253 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ POLB P06746 2/20 0.31
▸ ESR1 P03372 1/20 0.31

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
SCHEMBL13869720 0.93 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13869787 0.90 ALDH1A1 (0.35) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13869632 0.87 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13869585 0.83 MAPT (0.34) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13869816 0.75 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13869656 0.74 MAOB (0.41) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13886434 0.74 MEN1 (0.34) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13869478 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13869701 0.73 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL13869810 0.73 MEN1 (0.34) KDM4EALDH1A1HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
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