SCHEMBL3890602

SCHEMBL3890602

CC(c1ccncc1)N1C(=O)c2ccccc2C1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.73
SCN9A Q15858 8/20 0.53
KCNH2 Q12809 7/20 0.53
SCN5A Q14524 6/20 0.53
PRMT5 O14744 5/20 0.51
WDR77 Q9BQA1 5/20 0.51
TDP1 Q9NUW8 1/20 0.49
P2RX7 Q99572 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3756047 0.96 KCNA5 (0.73) KCNA5SCN9AKCNH2SCN5APRMT5
SCHEMBL3744033 0.93 KCNA5 (0.80) KCNA5SCN9AKCNH2SCN5APRMT5
SCHEMBL3750669 0.90 KCNA5 (0.86) KCNA5SCN9AKCNH2SCN5APRMT5
SCHEMBL3750902 0.89 KCNA5 (0.73) KCNA5SCN9AKCNH2SCN5APRMT5
SCHEMBL3758069 0.87 KCNA5 (0.70) KCNA5SCN9AKCNH2SCN5APRMT5
SCHEMBL3758908 0.86 KCNA5 (0.69) KCNA5SCN9AKCNH2SCN5APRMT5
SCHEMBL3755355 0.85 KCNA5 (0.52) KCNA5SCN9AKCNH2SCN5APRMT5
SCHEMBL3755943 0.85 KCNA5 (1.00) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3744491 0.82 KCNA5 (0.68) KCNA5SCN9AKCNH2SCN5APRMT5
SCHEMBL3752643 0.82 KCNA5 (0.81) KCNA5SCN9AKCNH2SCN5APRMT5

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
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed