SCHEMBL3457650

SCHEMBL3457650

CN1C[C@H](F)C[C@@H](C(=O)NO)[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 19/20 0.57
ERBB2 P04626 16/20 0.57
MMP2 P08253 17/20 0.52
MMP3 P08254 6/20 0.48
MMP9 P14780 6/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
ADAM17 P78536 1/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2175279 1.00 ADAM10 (0.57) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL3457646 1.00 ADAM10 (0.57) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172784 0.86 ADAM10 (0.61) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2174647 0.86 ADAM10 (0.61) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172781 0.85 ADAM10 (0.60) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2174642 0.85 ADAM10 (0.60) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172799 0.85 ADAM10 (0.60) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172520 0.82 ADAM10 (0.73) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2175484 0.82 ADAM10 (0.73) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL3464081 0.82 ADAM10 (0.73) 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