SCHEMBL328556

SCHEMBL328556

CN(CCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)S(=O)(=O)CCN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.40
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
F10 P00742 1/20 0.36
AHCY P23526 4/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 5/20 0.34
MEN1 O00255 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
SOS1 Q07889 1/20 0.34
CCR2 P41597 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL6850180 0.94 MMP9 (0.40) MMP3MMP2MMP9SOS1
SCHEMBL10066483 0.92 MMP3 (0.41) MMP3MMP2MMP9F10KEAP1
SCHEMBL6863812 0.91 MMP3 (0.52) MMP3MMP2MMP9AHCY
SCHEMBL6850247 0.90 ADRB2 (0.44) KMT2AMAPTMEN1PSEN1PSEN2
SCHEMBL328544 0.87 DAGLA (0.35) KMT2AHRH3CA12CA9SOS1
SCHEMBL6852333 0.86 MMP3 (0.39) MMP3MMP2MMP9F10AHCY
SCHEMBL328412 0.85 MMP3 (0.37) MMP3MMP2MMP9F10AHCY
SCHEMBL6852386 0.85 MMP3 (0.38) MMP3MMP2MMP9F10AHCY
SCHEMBL6852594 0.85 AHCY (0.44) MMP3AHCYCA12CA9
SCHEMBL328560 0.84 MMP3 (0.44) MMP3MMP2MMP9

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 2 patents. 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
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed