SCHEMBL13869768

SCHEMBL13869768

Cc1c(-c2ccc3c(c2)c2cc(-c4cc5ccc6ccccc6c5oc4=O)ccc2n3-c2ccccc2)c(=O)oc2ccc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ADORA3 P0DMS8 5/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAOB P27338 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37

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 0.90 KDM4E (0.47) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL13869701 0.82 KDM4E (0.39) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL13869749 0.80 SIRT2 (0.55) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL13869759 0.79 CYP19A1 (0.52) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL13869680 0.79 CYP1A2 (0.50) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL13869720 0.77 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL18717942 0.75 KDM4E (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13869256 0.75 CYP1A2 (0.61) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL13869236 0.74 KDM4E (0.57) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL13869307 0.73 CYP1A2 (0.59) ALDH1A1KDM4EMAPTHPGDMEN1

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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