SCHEMBL4700381

SCHEMBL4700381

O=C1CC(NS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)C(=O)N1OCc1ccccc1.O=C1C[C@H](NS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)C(=O)N1O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.37
USP5 P45974 1/20 0.37
CHRM4 P08173 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MMP3 P08254 2/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35
PAX8 Q06710 3/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35

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
SCHEMBL4698677 0.95 SLC18A3 (0.39) SLC18A3USP5CHRM4USP30MMP3
SCHEMBL4698135 0.86 USP5 (0.44) USP5USP30MMP3KCNH2GRIN2B
SCHEMBL4702692 0.80 MMP2 (0.46) MMP3MCL1
SCHEMBL4698467 0.75 F10 (0.42) MMP3MCL1
SCHEMBL4700809 0.73 MMP2 (0.45) USP30MMP3MCL1
SCHEMBL14040629 0.71 USP5 (0.46) USP5USP30MMP3KCNH2GRIN2B
SCHEMBL14040636 0.71 MMP13 (0.40)
SCHEMBL14040502 0.71 MMP13 (0.40)
SCHEMBL4699851 0.70 MMP13 (0.42) USP30MMP3
SCHEMBL5882183 0.68 F10 (0.44) USP30MMP3MCL1

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-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed