SCHEMBL22809671

SCHEMBL22809671

Cc1c(N)ncc(F)c1N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.38
NOS2 P35228 5/20 0.38
NOS1 P29475 3/20 0.38
DAO P14920 1/20 0.33
VRK1 Q99986 1/20 0.32
USP7 Q93009 1/20 0.32
LMNA P02545 1/20 0.31
AHCY P23526 2/20 0.30

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
SCHEMBL31568933 0.81 NOS3 (0.38) NOS3NOS2NOS1DAOVRK1
SCHEMBL7361562 0.80 NOS3 (0.36) NOS3NOS2NOS1VRK1AHCY
SCHEMBL31489254 0.77 LMNA (0.37) NOS3NOS2NOS1DAOVRK1
SCHEMBL2222027 0.76 NOS3 (0.38) NOS3NOS2NOS1DAOVRK1
SCHEMBL5809638 0.75 NOS3 (0.46) NOS3NOS2NOS1USP7
SCHEMBL20822293 0.75 NOS3 (0.46) NOS3NOS2NOS1USP7
Ammonia Solution, Strong SCHEMBL29016866 0.73 NOS3 (0.44) NOS3NOS2NOS1USP7
SCHEMBL14853133 0.73 LMNA (0.41) NOS3NOS2NOS1DAOVRK1
SCHEMBL18952054 0.73 NOS3 (0.35) NOS3NOS2NOS1DAOVRK1
SCHEMBL30867865 0.73 LMNA (0.41) NOS3NOS2NOS1DAOVRK1

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-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed