SCHEMBL5459669

SCHEMBL5459669

COc1ccc(-c2ccccc2)c(OC)c1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 5/20 0.51
CYP19A1 P11511 3/20 0.51
CYP17A1 P05093 2/20 0.51
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
CYP3A4 P08684 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43

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
SCHEMBL5455538 0.83 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL5455534 0.82 TUBB4A (0.49) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL27503313 0.81 CYP17A1 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL5457223 0.81 MAPK1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL26260092 0.78 NPC1 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL5468292 0.77 CYP19A1 (0.52) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL5459676 0.77 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL13781462 0.77 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL12381484 0.76 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1CYP17A1POLB
SCHEMBL5457794 0.75 POLB (0.55) CYP11B1CYP11B2CYP19A1CYP17A1POLB

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