SCHEMBL328412

SCHEMBL328412

CN(CCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)CN1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.37
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
F10 P00742 2/20 0.36
AHCY P23526 6/20 0.35
USP14 P54578 2/20 0.35
SOS1 Q07889 2/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 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
SCHEMBL6852303 0.89 ADRB2 (0.38) KEAP1NFE2L2MEN1KMT2A
SCHEMBL6852333 0.87 MMP3 (0.39) MMP3KEAP1NFE2L2F10AHCY
SCHEMBL328551 0.87 ALDH1A1 (0.36) MMP3F10HPGDMEN1KMT2A
SCHEMBL6852594 0.86 AHCY (0.44) MMP3AHCYEPHX2
SCHEMBL6852386 0.86 MMP3 (0.38) MMP3KEAP1NFE2L2F10AHCY
SCHEMBL328556 0.85 MMP3 (0.40) MMP3KEAP1NFE2L2F10AHCY
SCHEMBL6852329 0.83 ALDH1A1 (0.41) MMP2MMP9HPGDMEN1KMT2A
SCHEMBL328388 0.83 MMP3 (0.43) MMP3MMP2MMP9
SCHEMBL328488 0.83 MMP3 (0.42) MMP3KEAP1NFE2L2MMP2MMP9
SCHEMBL6852266 0.83 HRH3 (0.36) SOS1MMP2MMP9KMT2A

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