SCHEMBL3458519

SCHEMBL3458519

Cc1cc(C#N)ccc1C1=CCN(C(=O)[C@H]2NCC(CC(=O)N3CCOCC3)C[C@@H]2C(=O)NO)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.59
ERBB2 P04626 11/20 0.59
MMP2 P08253 14/20 0.46
MMP3 P08254 2/20 0.44
MMP9 P14780 4/20 0.43
MMP1 P03956 1/20 0.40

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
SCHEMBL3458524 1.00 ADAM10 (0.59) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2173947 1.00 ADAM10 (0.59) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172825 1.00 ADAM10 (0.59) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2176159 0.92 ADAM10 (0.59) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2174268 0.92 ADAM10 (0.59) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2424413 0.89 ADAM10 (0.55) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2175356 0.89 ADAM10 (0.55) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2175072 0.87 ADAM10 (0.48) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2175467 0.87 ADAM10 (0.48) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172910 0.85 ADAM10 (0.50) ADAM10ERBB2MMP2MMP3MMP9

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
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP claimed