SCHEMBL328417

SCHEMBL328417

CN(CCN(CC(N)=O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(F)c1)C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 8/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
FKBP1A P62942 1/20 0.38
MMP3 P08254 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL6850926 0.94 POLB (0.46) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL328415 0.91 RXFP1 (0.42) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL10067175 0.91 ALDH1A1 (0.45) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL6864106 0.90 MMP3 (0.50) MEN1KMT2AMAPK1TSHRALDH1A1
SCHEMBL328403 0.90 MEN1 (0.40) MEN1KMT2AMAPK1TSHRALDH1A1
SCHEMBL328406 0.84 MMP3 (0.49) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL6865718 0.80 MMP3 (0.58) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL6852266 0.74 HRH3 (0.36) KMT2AL3MBTL1
SCHEMBL328554 0.74 MMP3 (0.48) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL328488 0.72 MMP3 (0.42) MAPK1ALDH1A1HTTL3MBTL1LMNA

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