SCHEMBL7378461

SCHEMBL7378461

[CH2]C(CC(N)=O)c1cscn1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
PKM P14618 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
SCHEMBL3160945 0.79 KDM4E (0.35) KDM4EPKM
SCHEMBL2522189 0.69 KDM4E (0.38) KDM4EPKM
SCHEMBL1342079 0.67 KDM4E (0.44) KDM4E
SCHEMBL9079444 0.67 DPP4 (0.38) KDM4EPKM
SCHEMBL6218758 0.67 KDM4E (0.40) KDM4EPKM
Hydrochloric Acid SCHEMBL6243419 0.66 KDM4E (0.39) KDM4EPKM
SCHEMBL860903 0.64
SCHEMBL9672400 0.64 KDM4E (0.45) KDM4EPKM
SCHEMBL6161752 0.64 KDM4E (0.34) KDM4E
SCHEMBL15334614 0.64 ALDH1A1 (0.40) KDM4E

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