SCHEMBL8218364

SCHEMBL8218364

Cc1c([S+]([O-])c2ccc(N)cc2)cc(C(N)=O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
PLA2G10 O15496 1/20 0.41
ELANE P08246 3/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.37
SYK P43405 1/20 0.36
POLB P06746 1/20 0.35
ESRRA P11474 1/20 0.35
PTGS1 P23219 1/20 0.34
GSR P00390 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
BRD9 Q9H8M2 1/20 0.34

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
SCHEMBL8210572 0.92 NOTUM (0.52) NOTUMPLA2G10ELANELMNAMAPT
SCHEMBL8218340 0.92 NOTUM (0.44) NOTUMPLA2G10ELANELMNAMAPT
SCHEMBL3967256 0.89 ELANE (0.49) NOTUMELANE
SCHEMBL8210565 0.85 ELANE (0.43) NOTUMELANELMNAMAPT
SCHEMBL8065817 0.84 ELANE (0.42) NOTUMELANELMNAMAPTGAA
SCHEMBL8221794 0.84 ELANE (0.42) NOTUMELANELMNAMAPTPOLB
SCHEMBL8220444 0.83 NOTUM (0.53) NOTUMELANELMNAMAPTCYP1A2
SCHEMBL8237728 0.83 ELANE (0.41) NOTUMELANELMNAMAPTGAA
SCHEMBL8065761 0.83 KDM4E (0.42) NOTUMELANELMNAMAPTGAA
SCHEMBL8223929 0.81 DRD3 (0.42) ELANEMAPTCYP1A2

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-2008030158-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2008-03-13 WO disclosed