SCHEMBL3457417

SCHEMBL3457417

CN1C[C@@H](Oc2ccccn2)CC(C(=O)NO)C1C(=O)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 19/20 0.58
ERBB2 P04626 18/20 0.58
MMP2 P08253 15/20 0.58
MMP9 P14780 10/20 0.50
MMP3 P08254 8/20 0.50
MMP12 P39900 1/20 0.50
MMP14 P50281 1/20 0.50
ADAM8 P78325 1/20 0.50
ADAM17 P78536 1/20 0.50
ADAM33 Q9BZ11 1/20 0.50
MMP1 P03956 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2175259 1.00 ADAM10 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173994 0.93 ADAM10 (0.49) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175553 0.91 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176051 0.89 ADAM10 (0.65) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173570 0.88 ADAM10 (0.60) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172930 0.86 ADAM10 (0.52) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173399 0.85 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457485 0.85 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176236 0.85 ADAM10 (0.54) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457288 0.85 ADAM10 (0.54) ADAM10ERBB2MMP2MMP9MMP3

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