SCHEMBL5455002

SCHEMBL5455002

COc1ccc(C2=CC(=O)C=CC2=O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 1/20 0.57
MCL1 Q07820 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A1 P04798 3/20 0.49
CYP1B1 Q16678 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP4B1 P13584 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP3A5 P20815 1/20 0.49

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
SCHEMBL25834322 0.81 MAPT (0.53) MAPK1KDM4EMEN1MAPTPKM
SCHEMBL29589241 0.75 CYP1A1 (0.69) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL196689 0.75 CYP1A1 (0.69) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL11352814 0.74 MAPT (0.50) MAPK1KDM4EMEN1MAPTPKM
SCHEMBL28583375 0.74 MAPT (0.47) MAPK1KDM4EMEN1MAPTPKM
SCHEMBL1917876 0.73 MAPT (1.00) MAPK1KDM4EMEN1MAPTPKM
SCHEMBL10841554 0.73 CYP3A4 (0.56) MAPK1KDM4ECYP1A1CYP1B1CYP1A2
SCHEMBL11352811 0.72 CA1 (0.58) MAPK1KDM4EMEN1MAPTPKM
SCHEMBL10405201 0.72 TOP1 (0.51) MAPK1KDM4EMEN1MAPTPKM
SCHEMBL21428321 0.71 NFE2L2 (0.50) MAPK1KDM4EMEN1MAPTPKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39663-E1 Electron-deficient nitrogen heterocycle-substituted fluorescein dyes APPLERA CORPORATION (US) 2007-05-29 US disclosed
EP-1196640-B1 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORP (US) 2004-02-04 EP disclosed
EP-1196640-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES Applera Corporation (US) 2002-04-17 EP disclosed
WO-2001057264-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORPORATION (US) 2001-08-09 WO disclosed
US-6221604-B1 CONJUGATED TO SUBSTRATES SUCH AS NUCLEOSIDES OR NUCLEOTIDES AND USED AS DETECTION LABELS IN MOLECULAR BIOLOGY EXPERIMENTS; ENERGY TRANSFER DYE PE CORPORATION 2001-04-24 US disclosed