SCHEMBL13869733

SCHEMBL13869733

Cc1c(-c2ccc3c(c2)c2cc(-c4c(C)c5c(ccc6ccccc65)oc4=O)ccc2n3-c2ccccc2)c(=O)oc2ccc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ABCG2 Q9UNQ0 5/20 0.41
▸ AHR P35869 2/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ HNF4A P41235 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL13869768 0.90 ALDH1A1 (0.40) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL13869680 0.87 CYP1A2 (0.50) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL13869256 0.83 CYP1A2 (0.61) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL13869236 0.81 KDM4E (0.57) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL13869307 0.81 CYP1A2 (0.59) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL13869287 0.80 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL13869501 0.79 KDM4E (0.54) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL13869749 0.79 SIRT2 (0.55) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL19564381 0.78 KDM4E (0.44) KDM4EALDH1A1CYP1A2HPGDMAPT
SCHEMBL23981379 0.77 L3MBTL1 (0.46) KDM4EALDH1A1CYP1A2HPGDMAPT

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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