SCHEMBL6850859

SCHEMBL6850859

COCCOC(=O)N(C)CCN(CC(N)=O)S(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.38
CACNA1H O95180 2/20 0.35
CACNA1B Q00975 2/20 0.35
PLA2G7 Q13093 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
TBXA2R P21731 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
PTGER1 P34995 1/20 0.32
BMP1 P13497 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL328410 0.91 MEP1B (0.42) SCN9ACACNA1HCACNA1BMMP2BMP1
SCHEMBL6850876 0.81 MMP1 (0.46) LMNAALDH1A1MMP2BMP1
SCHEMBL6850891 0.81 ALDH1A1 (0.43) CACNA1HCACNA1BLMNASMN1; SMN2ALDH1A1
SCHEMBL328415 0.81 RXFP1 (0.42) SCN9ALMNASMN1; SMN2POLBALDH1A1
SCHEMBL328402 0.80 MEP1B (0.44) ALDH1A1MMP2BMP1
SCHEMBL328417 0.71 MEN1 (0.43) LMNASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL10067174 0.71 MMP1 (0.54) LMNAALDH1A1MMP2BMP1
SCHEMBL328416 0.71 SMN1; SMN2 (0.35) CACNA1HCACNA1BLMNASMN1; SMN2ALDH1A1
SCHEMBL328404 0.70 BMP1 (0.43) ALDH1A1MMP2BMP1
SCHEMBL6850926 0.70 POLB (0.46) LMNASMN1; SMN2POLBALDH1A1MEN1

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