SCHEMBL5478446

SCHEMBL5478446

Cc1cccc(-c2c(O)cc3ccccc3c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.50
CNR1 P21554 5/20 0.50
ACLY P53396 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
NQO1 P15559 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.39
ENPP1 P22413 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I3 Q14994 1/20 0.38

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
SCHEMBL460619 0.83 TRPM4 (0.52) ALOX5TRPM4NQO1PTPN22MEN1
SCHEMBL27930163 0.79 ALOX5 (0.52) CNR2CNR1L3MBTL1ALOX5ENPP1
SCHEMBL374808 0.78 ALOX5 (0.52) ALOX5TRPM4NQO1PTPN22
SCHEMBL488939 0.74 ACHE (0.50) CNR2CNR1L3MBTL1ENPP1KMT2A
SCHEMBL5459938 0.73 CNR2 (0.53) CNR2CNR1ACLYL3MBTL1ALOX5
SCHEMBL5478449 0.73 NQO1 (0.46) ALOX5TRPM4NQO1PTPN22SIRT1
SCHEMBL7909976 0.73 CYP2A6 (0.46) CNR2CNR1L3MBTL1ENPP1KMT2A
SCHEMBL5461208 0.73 CYP11B1 (0.59) ACLYL3MBTL1
SCHEMBL26348798 0.73 CNR2 (0.50) CNR2CNR1ACLYL3MBTL1ALOX5
SCHEMBL3170245 0.73 KMT2A (0.46) ALOX5NQO1MEN1KMT2A

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