SCHEMBL8714892

SCHEMBL8714892

CCCCS(=O)(=O)NC1CCc2scc(C3=NNC(=O)CC3)c2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.38
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MAPT P10636 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL8305010 0.79 HDAC8 (0.43) HDAC8LMNANPY1RNPY2RPSEN1
SCHEMBL8715076 0.78 BRD4 (0.34) LMNAMAPT
SCHEMBL8714462 0.77 HDAC8 (0.47) HDAC8LMNANPY1RNPY2RPSEN1
SCHEMBL8714966 0.75 MTNR1A (0.33) MAPT
SCHEMBL8307326 0.74 HDAC8 (0.51) HDAC8LMNANPY1RNPY2RPSEN1
SCHEMBL9414693 0.73 SMN1; SMN2 (0.36) LMNANPY1RNPY2RMAPT
Iodide SCHEMBL8720179 0.72 SMN1; SMN2 (0.35) LMNANPY1RNPY2RMAPT
SCHEMBL8717910 0.71 SMN1; SMN2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8306283 0.71 LMNA (0.47) HDAC8LMNANPY1RNPY2RPSEN1
SCHEMBL8717945 0.67 PDE4B (0.33) LMNAMAPT

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
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed