SCHEMBL328654

SCHEMBL328654

CN(C)c1ccc2c(S(=O)(=O)N(C)CCN(CC(=O)NO)S(=O)(=O)c3cc(F)c(Oc4ccc(Cl)cc4)c(F)c3)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.36
MMP13 P45452 5/20 0.36
MMP2 P08253 5/20 0.36
MMP9 P14780 5/20 0.36
MMP1 P03956 4/20 0.36
MMP8 P22894 4/20 0.36
MMP7 P09237 2/20 0.36
MMP12 P39900 2/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
MEP1B Q16820 3/20 0.35
BMP1 P13497 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
KMT2A Q03164 1/20 0.34
ADAM10 O14672 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL6851659 0.91 CSF1R (0.33) KMT2AALDH1A1
SCHEMBL328652 0.88 P2RX7 (0.40) MMP3MMP13MMP2MMP9MMP1
SCHEMBL328545 0.87 HDAC6 (0.47) MMP3MMP13MMP2MMP9MMP1
SCHEMBL6863163 0.82 MMP1 (0.44) MMP3MMP13MMP2MMP9MMP1
SCHEMBL328494 0.82 MMP13 (0.38) MMP3MMP13MMP2MMP9MMP1
SCHEMBL328649 0.82 MMP1 (0.44) MMP3MMP13MMP2MMP9MMP1
SCHEMBL6864397 0.81 MMP1 (0.44) MMP3MMP13MMP2MMP9MMP1
SCHEMBL6851665 0.79 P2RX7 (0.41)
SCHEMBL6864612 0.78 BMP1 (0.42) MMP3MMP13MMP2MMP9MMP1
SCHEMBL6850244 0.78 EDNRA (0.39) MMP3MMP13MMP2MMP9HDAC3

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-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed