SCHEMBL15580326

SCHEMBL15580326

C/C1=N/CC(C)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.50
NOS1 P29475 6/20 0.50
NOS2 P35228 6/20 0.50
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 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
SCHEMBL13198582 0.81
SCHEMBL13368176 0.66 NOS3 (0.48) NOS3NOS1NOS2KMT2A
SCHEMBL14441515 0.66 NOS3 (0.48) NOS3NOS1NOS2KMT2A
SCHEMBL16489783 0.66
SCHEMBL12422425 0.66 NOS3 (0.48) NOS3NOS1NOS2KMT2A
SCHEMBL24971583 0.66 NOS3 (0.48) NOS3NOS1NOS2KMT2A
SCHEMBL3432178 0.66
SCHEMBL10296536 0.66
SCHEMBL8329831 0.66 NOS3 (0.48) NOS3NOS1NOS2KMT2A
SCHEMBL29282073 0.66 NOS3 (0.48) NOS3NOS1NOS2KMT2A

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
EP-2185570-B1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed