SCHEMBL5457794

SCHEMBL5457794

COc1cccc(-c2cccnc2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
P2RX7 Q99572 1/20 0.54
CYP17A1 P05093 2/20 0.52
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
CYP19A1 P11511 1/20 0.52
EGFR P00533 2/20 0.52
FGFR1 P11362 2/20 0.52
KDR P35968 1/20 0.52
FYN P06241 1/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
PDE10A Q9Y233 1/20 0.50
APLNR P35414 1/20 0.48
CYP3A4 P08684 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL28395310 0.95 POLB (0.51) POLBP2RX7CYP17A1CYP11B1CYP11B2
SCHEMBL27503313 0.87 CYP17A1 (0.60) POLBCYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL28643239 0.85 FYN (0.52) POLBP2RX7CYP17A1CYP11B1CYP11B2
SCHEMBL8137336 0.84 POLB (0.64) POLBCYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL1422886 0.83 MAPK1 (0.70) POLBP2RX7MAPK1HTTCYP3A4
SCHEMBL28308744 0.81 KDM4E (0.51) FYNNPC1ALDH1A1HSD17B10ADORA3
SCHEMBL7368774 0.81 P2RX7 (0.50) POLBP2RX7CYP17A1CYP11B1CYP11B2
SCHEMBL23515364 0.81 CYP11B1 (0.50) POLBP2RX7CYP17A1CYP11B1CYP11B2
SCHEMBL12381484 0.81 CYP11B1 (0.74) POLBCYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL29625759 0.81 CYP11B1 (0.50) POLBP2RX7CYP17A1CYP11B1CYP11B2

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