SCHEMBL7410452

SCHEMBL7410452

N=C(N)NCCCC(C(N)=O)C(=O)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
ALDH1A1 P00352 1/20 0.36
F10 P00742 7/20 0.35
PRSS1 P07477 1/20 0.35
F2 P00734 1/20 0.34
PLA2G4A P47712 2/20 0.33
CTSK P43235 1/20 0.33
HSPA9 P38646 1/20 0.33
F11 P03951 2/20 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
SCHEMBL23752319 0.78 F11 (0.44) F10PRSS1F2CTSKHSPA9
SCHEMBL8797898 0.76 PLA2G4A (0.52) HDAC3HDAC1ALDH1A1PLA2G4A
SCHEMBL24131682 0.76 F10 (0.41) F10PRSS1F2CTSKF11
SCHEMBL22851086 0.74 NPY4R (0.47) F10F2F11
SCHEMBL5848285 0.74 HDAC3 (0.38) HDAC3HDAC1ALDH1A1F10PLA2G4A
SCHEMBL8808549 0.73 HDAC3 (0.49) HDAC3HDAC1ALDH1A1PLA2G4AHSPA9
SCHEMBL8800998 0.72 HDAC3 (0.54) HDAC3HDAC1
SCHEMBL23862150 0.72 F11 (0.40) ALDH1A1F10F2CTSKF11
SCHEMBL8801010 0.72 F10 (0.44) F10PRSS1F2CTSKF11
SCHEMBL29187204 0.72 FDPS (0.39) ALDH1A1CTSKHSPA9

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-1996019483-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC. (CA) 1996-06-27 WO disclosed