SCHEMBL16175331

SCHEMBL16175331

COc1ccncc1Oc1cc(F)c(C(N)=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
CSF1R P07333 5/20 0.41
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PARP10 Q53GL7 2/20 0.39
PARP14 Q460N5 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL1690268 0.82 SCN9A (0.55)
SCHEMBL365692 0.80 LMNA (0.48) CSF1RLMNAHTTPARP10PARP14
SCHEMBL16319179 0.78 HTT (0.47) CSF1RLMNAHTTPARP10PARP14
SCHEMBL16319445 0.77 SLC6A2 (0.49) CSF1RTDP1LMNAHTTPARP10
SCHEMBL16319558 0.77 SCN9A (0.43) CSF1RLMNAHTTPARP10PARP14
SCHEMBL16319728 0.75 SCN8A (0.44) LMNAHTT
SCHEMBL607011 0.75 MKNK1 (0.57) MKNK1MKNK2IKBKBCHUKSIRT3
SCHEMBL3966553 0.75 SIRT3 (0.59) MKNK1MKNK2IKBKBCHUKSIRT3
SCHEMBL29617706 0.75 SIRT3 (0.59) MKNK1MKNK2IKBKBCHUKSIRT3
SCHEMBL16174914 0.75 SLC22A12 (0.43) CLK1CLK2CLK3CDK5DYRK1A

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-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed