SCHEMBL13869387

SCHEMBL13869387

Cc1c(-c2c3ccccc3c(-c3c(C)c4c(ccc5ccccc54)oc3=O)c3ccccc23)c(=O)oc2ccc3ccccc3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ GAA P10253 4/20 0.62
▸ HPGD P15428 3/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HNF4A P41235 1/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAOB P27338 2/20 0.46
▸ ABCG2 Q9UNQ0 3/20 0.44
▸ AHR P35869 2/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ MAPK3 P27361 1/20 0.44

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
SCHEMBL13869343 0.91 KDM4E (0.57) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869256 0.89 CYP1A2 (0.61) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869307 0.88 CYP1A2 (0.59) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869634 0.86 KDM4E (0.58) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869429 0.86 CYP1A2 (0.58) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869236 0.85 KDM4E (0.57) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869287 0.84 KDM4E (0.56) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869413 0.84 KDM4E (0.56) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869460 0.84 KDM4E (0.56) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL13869816 0.84 KDM4E (0.56) KDM4EALDH1A1GAAHPGDCYP1A2

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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