SCHEMBL13869680

SCHEMBL13869680

Cc1c(-c2ccc3c(c2)c2cc(-c4c(C)c5c(ccc6ccccc65)oc4=O)ccc2n3C)c(=O)oc2ccc3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPC1 O15118 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HNF4A P41235 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ 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

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
SCHEMBL13869733 0.87 KDM4E (0.47) CYP1A2KDM4EALDH1A1GAAMEN1
SCHEMBL13869256 0.86 CYP1A2 (0.61) CYP1A2KDM4EALDH1A1GAAMEN1
SCHEMBL13869701 0.86 KDM4E (0.39) CYP1A2KDM4EALDH1A1GAAMEN1
SCHEMBL13869236 0.84 KDM4E (0.57) CYP1A2KDM4EALDH1A1GAAMEN1
SCHEMBL13869307 0.84 CYP1A2 (0.59) CYP1A2KDM4EALDH1A1GAAMEN1
SCHEMBL13869287 0.83 KDM4E (0.56) CYP1A2KDM4EALDH1A1GAAMEN1
SCHEMBL13869501 0.82 KDM4E (0.54) CYP1A2KDM4EALDH1A1GAAMEN1
SCHEMBL13869534 0.80 KDM4E (0.49) CYP1A2KDM4EALDH1A1GAAMEN1
SCHEMBL13869686 0.79 KDM4E (0.53) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL13869768 0.79 ALDH1A1 (0.40) CYP1A2KDM4EALDH1A1GAAMEN1

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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