SCHEMBL13869749

SCHEMBL13869749

O=c1oc2ccc3ccccc3c2cc1-c1ccc2c(c1)c1cc(-c3cc4c(ccc5ccccc54)oc3=O)ccc1n2-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.55
▸ SIRT1 Q96EB6 3/20 0.55
▸ KDM4E B2RXH2 11/20 0.54
▸ ALDH1A1 P00352 10/20 0.54
▸ MAPT P10636 7/20 0.54
▸ HPGD P15428 5/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ ESR1 P03372 2/20 0.51
▸ GAA P10253 4/20 0.48
▸ GLA P06280 4/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL13869728 0.86 SIRT2 (0.43) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL13869686 0.85 KDM4E (0.53) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL13869739 0.83 KDM4E (0.39) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL13870288 0.82 KDM4E (0.48) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL13869266 0.82 ALDH1A1 (0.66) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL13869335 0.80 ALDH1A1 (0.64) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL4379904 0.80 KDM4E (0.72) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL17638031 0.80 KMT2A (0.48) SIRT2SIRT1KDM4EALDH1A1HPGD
SCHEMBL17637777 0.80 KMT2A (0.48) SIRT2SIRT1KDM4EALDH1A1HPGD
SCHEMBL13869768 0.80 ALDH1A1 (0.40) SIRT2SIRT1KDM4EALDH1A1MAPT

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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