SCHEMBL6852333

SCHEMBL6852333

CN(CCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)OCCN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.39
F10 P00742 1/20 0.37
HRH3 Q9Y5N1 8/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
AHCY P23526 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 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
PSENEN Q9NZ42 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
SCHEMBL6852386 0.99 MMP3 (0.38) MMP3F10HRH3MMP2MMP9
SCHEMBL328413 0.91 MMP3 (0.51) MMP3HRH3MMP2MMP9ESR1
SCHEMBL10067173 0.90 MMP3 (0.49) MMP3MMP2MMP9LTA4HPTGS2
SCHEMBL328412 0.87 MMP3 (0.37) MMP3F10MMP2MMP9AHCY
SCHEMBL6852594 0.87 AHCY (0.44) MMP3AHCY
SCHEMBL328556 0.86 MMP3 (0.40) MMP3F10HRH3MMP2MMP9
SCHEMBL328551 0.84 ALDH1A1 (0.36) MMP3F10MEN1KMT2A
SCHEMBL6852592 0.82 CHRM5 (0.35) MMP2MMP9KMT2A
SCHEMBL328473 0.82 F13A1 (0.41)
SCHEMBL6852266 0.82 HRH3 (0.36) HRH3MMP2MMP9KMT2A

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