SCHEMBL328658

SCHEMBL328658

CN(CCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
MMP13 P45452 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPBAR1 Q8TDU6 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
TBXA2R P21731 1/20 0.34
TBXAS1 P24557 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 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
SCHEMBL6863154 0.90 MMP1 (0.40) HSP90AA1KDM4EMAPTHTTMMP13
SCHEMBL328662 0.88 MEN1 (0.39) MAPTTDP1SMN1; SMN2L3MBTL1DAGLA
SCHEMBL328477 0.83 CA1 (0.35) L3MBTL1DAGLAALDH1A1LMNACA12
SCHEMBL328414 0.83 DAGLA (0.37) SMN1; SMN2L3MBTL1DAGLAALDH1A1CA12
SCHEMBL328659 0.82 RORC (0.40) TDP1TBXA2RTBXAS1ALDH1A1
SCHEMBL6850664 0.82 DAGLA (0.43) MMP13L3MBTL1DAGLAALDH1A1
SCHEMBL328661 0.82 KMT2A (0.38) TDP1L3MBTL1GAADAGLAALDH1A1
SCHEMBL328548 0.82 DAGLA (0.37) MAPTSMN1; SMN2L3MBTL1DAGLAALDH1A1
SCHEMBL328473 0.81 F13A1 (0.41) MAPTDAGLALMNA
SCHEMBL6850285 0.80 MMP13 (0.41) HTTMMP13TDP1TBXA2RTBXAS1

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