SCHEMBL7379331

SCHEMBL7379331

[CH2]C(CC(N)=O)c1c(C)ncn1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
DPP4 P27487 1/20 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
SCHEMBL7373369 0.83 L3MBTL1 (0.34) APOBEC3AAPOBEC3G
SCHEMBL9623555 0.68 LMNA (0.33) APOBEC3AAPOBEC3G
SCHEMBL7412862 0.67 KDM4E (0.42)
SCHEMBL7358639 0.66
SCHEMBL7375008 0.66 PDE4A (0.35) APOBEC3AAPOBEC3G
SCHEMBL12827526 0.66 NPC1 (0.30)
SCHEMBL19797901 0.65 APOBEC3A (0.41) APOBEC3AAPOBEC3GDPP4
SCHEMBL7382377 0.64 SIRT3 (0.33)
SCHEMBL7377175 0.64 HTT (0.46)
SCHEMBL7379327 0.62 MPO (0.34) APOBEC3AAPOBEC3G

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed