SCHEMBL10067178

SCHEMBL10067178

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.50
AHCY P23526 16/20 0.45
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 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
SCHEMBL6852594 0.92 AHCY (0.44) MMP3AHCYKDM4ECA12CA9
SCHEMBL10067173 0.89 MMP3 (0.49) MMP3AHCY
SCHEMBL328413 0.88 MMP3 (0.51) MMP3AHCY
SCHEMBL6863812 0.86 MMP3 (0.52) MMP3AHCYKDM4E
SCHEMBL328492 0.84 MMP1 (0.42) MMP3CA9
SCHEMBL328388 0.84 MMP3 (0.43) MMP3
SCHEMBL328554 0.83 MMP3 (0.48) MMP3
SCHEMBL328398 0.83 MMP3 (0.45) MMP3
SCHEMBL6864692 0.82 MMP3 (0.50) MMP3KDM4E
SCHEMBL328400 0.81 MMP3 (0.51) MMP3KDM4E

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