SCHEMBL6852278

SCHEMBL6852278

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.40
CACNA1B Q00975 3/20 0.40
MMP1 P03956 2/20 0.37
MMP7 P09237 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC6A4 P31645 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SOS1 Q07889 1/20 0.35
SLC9A3 P48764 4/20 0.34
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL328409 0.87 MMP1 (0.38) CACNA1HCACNA1BMMP1MMP7MMP8
SCHEMBL328416 0.87 SMN1; SMN2 (0.35) CACNA1HCACNA1BMMP1MMP7MMP8
SCHEMBL328408 0.86 PDK2 (0.35) CACNA1HCACNA1BMMP1MMP7MMP8
SCHEMBL328544 0.83 DAGLA (0.35) KMT2AHRH3SOS1SLC9A3ALDH1A1
SCHEMBL328414 0.83 DAGLA (0.37) SMN1; SMN2KMT2AALDH1A1
SCHEMBL328403 0.82 MEN1 (0.40) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL6850664 0.82 DAGLA (0.43) MMP1MMP8MMP13SLC9A3ALDH1A1
SCHEMBL328548 0.82 DAGLA (0.37) SMN1; SMN2KMT2ASLC9A3ALDH1A1
SCHEMBL328661 0.82 KMT2A (0.38) KMT2AALDH1A1
SCHEMBL10066710 0.80 LSS (0.41) MEN1KMT2ASLC9A3ALDH1A1

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