SCHEMBL13201657

SCHEMBL13201657

BC(=C)OOCCN(C)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
SCP2 P22307 1/20 0.45
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
GPR84 Q9NQS5 10/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
BRCA1 P38398 1/20 0.36
HIF1A Q16665 1/20 0.36
TNKS O95271 1/20 0.35
CFTR P13569 1/20 0.33
SIGMAR1 Q99720 4/20 0.33

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
SCHEMBL23373810 0.84 MEN1 (0.66) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL62448 0.83 MEN1 (0.69) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL62437 0.81 MEN1 (0.59) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL8858355 0.77 NPC1 (0.76) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL13182571 0.76 MEN1 (0.60) MEN1NPC1POLBRAB9AKMT2A
Nile Red SCHEMBL49047 0.74 MEN1 (1.00) MEN1NPC1POLBRAB9AKMT2A
Nile Red SCHEMBL29373685 0.74 MEN1 (1.00) MEN1NPC1POLBRAB9AKMT2A
Nile Red SCHEMBL28703996 0.74 MEN1 (0.93) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL31722939 0.72 NPC1 (0.74) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL14986327 0.72 NPC1 (0.74) MEN1NPC1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed