SCHEMBL13182571

SCHEMBL13182571

CN(CCBCC(=O)O)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SCP2 P22307 1/20 0.48
PTPRA P18433 1/20 0.44
PTPRB P23467 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
BRCA1 P38398 1/20 0.41
HIF1A Q16665 1/20 0.41
GPR84 Q9NQS5 10/20 0.37
NR1I2 O75469 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL62448 0.84 MEN1 (0.69) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL23373810 0.80 MEN1 (0.66) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL62437 0.79 MEN1 (0.59) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL8858355 0.78 NPC1 (0.76) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL7815341 0.78 MEN1 (0.79) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13201657 0.76 MEN1 (0.58) MEN1KMT2APOLBNPC1RAB9A
Nile Red SCHEMBL29373685 0.76 MEN1 (1.00) MEN1KMT2APOLBNPC1RAB9A
Nile Red SCHEMBL49047 0.76 MEN1 (1.00) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL31722939 0.75 NPC1 (0.74) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL14986327 0.75 NPC1 (0.74) MEN1KMT2APOLBNPC1RAB9A

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
EP-2223971-A1 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2010-09-01 EP disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
EP-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 EP disclosed