SCHEMBL4543003

SCHEMBL4543003

Nc1cccc(S(=O)(=O)N2CCC(CNC(=O)[C]3CCCCCCC3)C2)c1.[CH2].[CH2]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKLR P30613 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CACNA1H O95180 1/20 0.39
USP5 P45974 1/20 0.39

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
SCHEMBL4535854 0.88 KMT2A (0.47) ALDH1A1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4530586 0.88 EPHX2 (0.52) ALDH1A1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4531162 0.88 KMT2A (0.45) ALDH1A1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4534333 0.87 PKM (0.50) ALDH1A1SMN1; SMN2L3MBTL1HSD17B10KMT2A
SCHEMBL4542832 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL4539847 0.85 USP30 (0.44) L3MBTL1TDP1
SCHEMBL4539837 0.85 MEN1 (0.55) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL4539370 0.84 KMT2A (0.48) ALDH1A1SMN1; SMN2L3MBTL1HTTHSD17B10
SCHEMBL4537743 0.84 EPHX2 (0.48) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL4542446 0.82 SMN1; SMN2 (0.53) ALDH1A1NPSR1SMN1; SMN2L3MBTL1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed