SCHEMBL328661

SCHEMBL328661

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
DAGLA Q9Y4D2 3/20 0.37
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
BMP1 P13497 1/20 0.33
PNLIP P16233 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 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
SCHEMBL328414 0.91 DAGLA (0.37) KMT2ADAGLAALDH1A1L3MBTL1PTGDR2
SCHEMBL328548 0.90 DAGLA (0.37) KMT2ADAGLAALDH1A1L3MBTL1PTGDR2
SCHEMBL6863163 0.89 MMP1 (0.44) KMT2ACA9BMP1
SCHEMBL328544 0.88 DAGLA (0.35) KMT2ADAGLAALDH1A1L3MBTL1CYP3A4
SCHEMBL6850664 0.86 DAGLA (0.43) DAGLAALDH1A1L3MBTL1PTGDR2POLB
SCHEMBL6850484 0.86 DAGLA (0.36) KMT2ADAGLAALDH1A1L3MBTL1CYP3A4
SCHEMBL328643 0.86 KMT2A (0.35) KMT2ADAGLAALDH1A1CYP3A4CYP2C19
SCHEMBL6852280 0.84 BDKRB1 (0.40) KMT2ADAGLAALDH1A1L3MBTL1CA12
SCHEMBL10066710 0.84 LSS (0.41) KMT2ADAGLAALDH1A1L3MBTL1CA12
SCHEMBL6850244 0.84 EDNRA (0.39) DAGLAL3MBTL1CYP2C19TDP1

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