SCHEMBL7448973

SCHEMBL7448973

CC(C)(C)OC(=O)NC1CCN(Cc2cc3c(Cl)ncnc3s2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
F10 P00742 3/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 1/20 0.37
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 5/20 0.34
FPR2 P25090 1/20 0.34
P2RY12 Q9H244 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
MKNK1 Q9BUB5 2/20 0.33
GAA P10253 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
PROC P04070 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL7213522 1.00 SELE (0.40) SELEVCAM1F10F2PRSS1
SCHEMBL31140069 0.81 BTK (0.47) SELEVCAM1F10JAK3BTK
SCHEMBL27504720 0.78 SELE (0.39) SELEVCAM1F10MEN1P2RY12
SCHEMBL7449196 0.77 F2 (0.37) F10F2PRSS1JAK3BTK
SCHEMBL7219265 0.77 F2 (0.37) F10F2PRSS1JAK3BTK
SCHEMBL7213537 0.76 SELE (0.44) SELEVCAM1F10F2JAK3
SCHEMBL7213538 0.75 SELE (0.48) SELEVCAM1F10MEN1KMT2A
SCHEMBL27502979 0.75 SELE (0.46) SELEVCAM1F10MEN1P2RY12
SCHEMBL7540796 0.75 F10 (0.45) F10F2PRSS1PLGPLAT
SCHEMBL7213552 0.75 F10 (0.45) F10F2PRSS1PLGPLAT

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-2001039759-A2 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-07 WO disclosed