SCHEMBL6852280

SCHEMBL6852280

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SLC9A3 P48764 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 2/20 0.37
DAGLA Q9Y4D2 1/20 0.35
BMP1 P13497 1/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
THRB P10828 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 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
SCHEMBL328390 0.91 MMP1 (0.43) BDKRB1BMP1CA9
SCHEMBL6850664 0.90 DAGLA (0.43) ALDH1A1SLC9A3ATML3MBTL1LTA4H
SCHEMBL10066710 0.85 LSS (0.41) ALDH1A1SLC9A3KMT2AMEN1L3MBTL1
SCHEMBL328414 0.85 DAGLA (0.37) ALDH1A1KMT2AL3MBTL1DAGLABMP1
SCHEMBL6852329 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL328548 0.84 DAGLA (0.37) ALDH1A1SLC9A3KMT2AL3MBTL1DAGLA
SCHEMBL328661 0.84 KMT2A (0.38) ALDH1A1KMT2AL3MBTL1DAGLABMP1
SCHEMBL6865083 0.83 MMP1 (0.48) DAGLABMP1CA9
SCHEMBL6850484 0.82 DAGLA (0.36) ALDH1A1SLC9A3KMT2AL3MBTL1DAGLA
SCHEMBL328544 0.82 DAGLA (0.35) ALDH1A1SLC9A3KMT2AL3MBTL1DAGLA

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