SCHEMBL18007256

SCHEMBL18007256

O=c1[nH]cc(-c2ncccc2-c2ccccc2)cc1-c1ccccc1C=NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
TNKS O95271 5/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
KCNN4 O15554 2/20 0.32

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
SCHEMBL18007231 0.79 TNKS (0.37) TNKSTNKS2ALDH1A1AURKAMAPT
SCHEMBL18007259 0.76 MCL1 (0.49) PTGS2PTGS1TNKSALDH1A1HTT
SCHEMBL18074847 0.69 PTGS2 (0.52) PTGS2PTGS1ALDH1A1HTTHSD17B10
SCHEMBL3323469 0.68 GRIN2D (0.59) ALDH1A1HTTHSD17B10MEN1KMT2A
SCHEMBL2160705 0.68 GRIN2D (0.59) ALDH1A1HTTHSD17B10MEN1KMT2A
SCHEMBL2160707 0.68 GRIN2D (0.59) ALDH1A1HTTHSD17B10MEN1KMT2A
SCHEMBL37278 0.65 PTGS2 (0.66) PTGS2PTGS1ALDH1A1HTTHSD17B10
SCHEMBL30587086 0.65 ALDH1A1 (0.50) ALDH1A1HTTKCNN4HPGD
SCHEMBL753524 0.65 FGF23 (0.41) PTGS2PTGS1ALDH1A1HTTHSD17B10
SCHEMBL21645885 0.65 FGF23 (0.41) PTGS2PTGS1ALDH1A1HTTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3259262-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PERAMPANEL Mapi Pharma Limited (IL) 2017-12-27 EP disclosed
WO-2016132343-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PERAMPANEL MAPI PHARMA LTD. (IL) 2016-08-25 WO disclosed