SCHEMBL5455538

SCHEMBL5455538

COc1ccc(-c2cccnc2)c(OC)c1-c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 1/20 0.50
CYP3A4 P08684 2/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
POLB P06746 2/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
NPY5R Q15761 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
PDE10A Q9Y233 1/20 0.42
EGFR P00533 2/20 0.42

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
SCHEMBL5459904 0.84 NPC1 (0.44) POLBNPC1KDM4ERAB9AHPGD
SCHEMBL5459669 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL5455534 0.81 TUBB4A (0.49) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL27503313 0.80 CYP17A1 (0.60) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL5457794 0.77 POLB (0.55) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL3752648 0.76 KDM4E (0.61) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL8137336 0.75 POLB (0.64) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL12381484 0.75 CYP11B1 (0.74) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL5462852 0.73 KDM4E (0.49) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL28395310 0.73 POLB (0.51) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4

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