SCHEMBL3458053

SCHEMBL3458053

O=C(NO)[C@H]1CC(Oc2ccncc2)CC[C@@H]1C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 13/20 0.66
MMP2 P08253 9/20 0.66
MMP8 P22894 1/20 0.66
MMP12 P39900 1/20 0.66
ADAM17 P78536 1/20 0.66
EPHX2 P34913 3/20 0.52
ERBB2 P04626 9/20 0.52
BACE1 P56817 2/20 0.43
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
HTR2B P41595 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
SCHEMBL3458057 1.00 ADAM10 (0.66) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL2173575 1.00 ADAM10 (0.66) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL2175156 0.86 ADAM10 (0.61) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL2174092 0.86 ADAM10 (0.53) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL2174077 0.85 ADAM10 (0.65) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL3457938 0.85 ADAM10 (0.65) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL3457943 0.85 ADAM10 (0.65) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL2175214 0.83 ADAM10 (0.57) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL2172740 0.82 ADAM10 (0.79) ADAM10MMP2MMP8MMP12ADAM17
SCHEMBL2172733 0.82 ADAM10 (0.79) ADAM10MMP2MMP8MMP12ADAM17

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 disclosed