SCHEMBL6448557

SCHEMBL6448557

N#Cc1ccccc1-c1nc2cc(O)ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 17/20 0.60
ESR1 P03372 16/20 0.60
KDM6B O15054 1/20 0.52
KDM6A O15550 1/20 0.52
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
HSPD1 P10809 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
HSPE1 P61604 1/20 0.45

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
SCHEMBL9272942 0.83 KDM4E (0.58) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL19428496 0.83 PIK3CB (0.57) ESR2ESR1KDM6BKDM6APIK3CA
SCHEMBL28267506 0.82 PSMB8 (0.54) KDM6BKDM6AHSPD1PTPN2PTPN1
SCHEMBL9269982 0.80 MAPT (0.44) ESR2ESR1HSPD1PTPN2PTPN1
SCHEMBL9115528 0.78 ESR1 (0.65) ESR2ESR1KDM6BKDM6APIK3CA
SCHEMBL16744046 0.76 TOP2A (0.51) ESR2ESR1KDM6BKDM6A
SCHEMBL29730425 0.76 GSK3B (0.44) ESR2ESR1HSPD1PTPN2PTPN1
SCHEMBL19434362 0.76 GSK3B (0.44) ESR2ESR1HSPD1PTPN2PTPN1
SCHEMBL1378665 0.76 ESR1 (1.00) ESR2ESR1KDM6BKDM6APIK3CA
SCHEMBL1375754 0.75 ESR1 (1.00) ESR2ESR1KDM6BKDM6APIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050244718-A1 Polymerizable, luminescent compounds and mixtures, luminescent polymer materials and their use MERCK PATENT GMBH (DE) 2005-11-03 US disclosed
EP-1517974-A1 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GmbH (DE) 2005-03-30 EP disclosed
WO-2004003103-A1 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GMBH (DE) 2004-01-08 WO disclosed