SCHEMBL13182638

SCHEMBL13182638

BCC(=O)NCCOc1ccc2c(=O)cc3oc4cc(N(CC)CC)ccc4nc-3c2c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCP2 P22307 1/20 0.72
GPR84 Q9NQS5 10/20 0.61
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

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
SCHEMBL61656 0.94 SCP2 (0.75) SCP2GPR84MEN1NPC1POLB
SCHEMBL60937 0.92 SCP2 (0.72) SCP2GPR84MEN1NPC1POLB
SCHEMBL13201656 0.91 SCP2 (0.76) SCP2GPR84MEN1NPC1POLB
SCHEMBL14267417 0.84 SCP2 (1.00) SCP2GPR84MEN1NPC1POLB
SCHEMBL13930776 0.84 SCP2 (0.66) SCP2GPR84MEN1NPC1POLB
SCHEMBL62370 0.84 SCP2 (0.77) SCP2GPR84MEN1NPC1POLB
SCHEMBL19646592 0.83 SCP2 (0.77) SCP2GPR84MEN1NPC1POLB
SCHEMBL26434823 0.83 SCP2 (0.76) SCP2GPR84MEN1NPC1POLB
SCHEMBL3501312 0.83 SCP2 (0.82) SCP2GPR84MEN1NPC1POLB
SCHEMBL7812704 0.83 SCP2 (0.93) SCP2GPR84MEN1NPC1POLB

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-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
EP-2223971-A1 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2010-09-01 EP disclosed
EP-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 EP disclosed