SCHEMBL9296347

SCHEMBL9296347

O=Nc1c(O)cc(O)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
MPL P40238 4/20 0.54
TRPM4 Q8TD43 1/20 0.45
IDO1 P14902 1/20 0.44
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8179359 0.80 HSP90AA1 (0.50) HSP90AA1MPLLMNAHTTGRIN2D
SCHEMBL11427080 0.79 THRB (0.62) HSP90AA1MPLTHRBHTTMEN1
SCHEMBL11414287 0.79 THRB (0.53) HSP90AA1MPLTHRBHTTMEN1
SCHEMBL11413974 0.79 MPL (0.69) HSP90AA1MPLTRPM4NSD2LDHA
SCHEMBL11330226 0.77 MPL (0.71) HSP90AA1MPLNSD2CTRC
SCHEMBL29745940 0.77 MPL (0.58) HSP90AA1MPLLMNAHTTMEN1
SCHEMBL28964141 0.77 MPL (0.51) HSP90AA1MPLLMNAMEN1MAPT
SCHEMBL11414363 0.77 MPL (0.67) HSP90AA1MPLNSD2LDHACTRC
SCHEMBL28693498 0.77 HSP90AA1 (0.47) HSP90AA1MPLLMNAHTTGRIN2D
SCHEMBL11419689 0.76 KDM4E (0.52) HSP90AA1MPLTRPM4IDO1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304645-A Colored or fluorescent labels BOEHRINGER MANNHEIM GMBH (DE) 1994-04-19 US disclosed
US-4954630-A COLORIMETRIC OR FLUORESCENT ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed
EP-0209875-B1 RESORUFIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION Roche Diagnostics GmbH (DE) 1990-08-29 EP disclosed
EP-0209875-A1 Resorufin derivatives and process for their preparation Roche Diagnostics GmbH (DE) 1987-01-28 EP disclosed