SCHEMBL328544

SCHEMBL328544

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 2/20 0.34
UTS2R Q9UKP6 2/20 0.33
SOS1 Q07889 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
BMP1 P13497 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
SLC9A3 P48764 1/20 0.31

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 0.89 DAGLA (0.37) DAGLAALDH1A1L3MBTL1KMT2ACA12
SCHEMBL328661 0.88 KMT2A (0.38) DAGLAALDH1A1L3MBTL1KMT2ACA12
SCHEMBL328548 0.88 DAGLA (0.37) DAGLAALDH1A1L3MBTL1KMT2ACA12
SCHEMBL6850484 0.88 DAGLA (0.36) DAGLAALDH1A1L3MBTL1KMT2APOLB
SCHEMBL6850180 0.87 MMP9 (0.40) ALDH1A1SOS1
SCHEMBL328556 0.87 MMP3 (0.40) KMT2ASOS1CA12CA9HRH3
SCHEMBL10066483 0.85 MMP3 (0.41) ALDH1A1KMT2ABMP1
SCHEMBL6850664 0.84 DAGLA (0.43) DAGLAALDH1A1L3MBTL1POLBHPGD
SCHEMBL6852278 0.83 CACNA1H (0.40) ALDH1A1KMT2ASOS1HRH3SLC9A3
SCHEMBL6850247 0.83 ADRB2 (0.44) ALDH1A1KMT2APOLBHPGDCYP3A4

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