SCHEMBL8216110

SCHEMBL8216110

COC(=O)[C@H](CNC(=O)Cc1nnc(CCCNC2N=CCN2)s1)NS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.33
GLS O94925 2/20 0.33
FBP1 P09467 9/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30

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
SCHEMBL8177319 0.93 ITGB3 (0.36) F2GLSFBP1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8222330 0.92 ITGB3 (0.36) F2GLSFBP1ITGB3ITGA2B
SCHEMBL8168501 0.85 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL8210927 0.83 F2 (0.40) F2GLSFBP1MEN1CYP3A4
SCHEMBL8210925 0.83 F2 (0.40) F2GLSFBP1MEN1CYP3A4
SCHEMBL8216119 0.82 ITGB3 (0.39) F2GLSITGB3ITGA2B
SCHEMBL7367606 0.80 SLC1A3 (0.36) F2GLSFBP1
SCHEMBL8176184 0.80 GLS (0.37) F2GLSFBP1MEN1CYP3A4
SCHEMBL8176181 0.80 GLS (0.37) F2GLSFBP1MEN1CYP3A4
SCHEMBL8177325 0.74 ITGB3 (0.46) F2ITGB3ITGA2B

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-6153628-A 1,3,4-thiadiazoles and 1,3,4-Oxadiazoles as αv β3 antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-28 US disclosed