SCHEMBL623754

SCHEMBL623754

COC(=O)C(OC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
GCK P35557 2/20 0.47
EPHX2 P34913 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL184745 0.90 GCK (0.58) GLAALDH1A1KMT2APKMGCK
SCHEMBL623504 0.86 GCK (0.49) ALDH1A1KMT2AMAPK1MEN1TDP1
SCHEMBL11997723 0.85 GCK (0.62) ALDH1A1KMT2AMAPK1MEN1GCK
SCHEMBL185203 0.77 GLA (0.58) GLAALDH1A1KMT2AMEN1RAB9A
SCHEMBL185418 0.77 GCK (0.60) GLAALDH1A1KMT2AGCKSMN1; SMN2
SCHEMBL23349257 0.76 SLC6A3 (0.51) ALDH1A1KMT2AMEN1TDP1
SCHEMBL14068457 0.76 SLC6A3 (0.51) ALDH1A1KMT2AMEN1TDP1
SCHEMBL623545 0.76 GCK (0.55) GCK
SCHEMBL623036 0.76 GCK (0.79) GCK
SCHEMBL2653506 0.74 SLC6A3 (0.48) GCK

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
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed