SCHEMBL4540074

SCHEMBL4540074

O=C(NCC1CCN(S(=O)(=O)c2cccc(Cl)c2)C1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.50
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP30 Q70CQ3 2/20 0.48
EPHX1 P07099 1/20 0.48
EPHX2 P34913 1/20 0.48
POLB P06746 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.42
SLC13A5 Q86YT5 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL4536853 0.96 EPHX1 (0.49) FBP1ALDH1A1L3MBTL1USP30EPHX1
SCHEMBL4537192 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL4537525 0.89 EPHX2 (0.50) ALDH1A1L3MBTL1USP30EPHX2KMT2A
SCHEMBL4539044 0.88 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL4535854 0.86 KMT2A (0.47) FBP1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4539993 0.86 ALDH1A1 (0.51) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL4540478 0.86 KMT2A (0.50) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL4542594 0.85 MEN1 (0.47) ALDH1A1L3MBTL1EPHX2POLBKMT2A
SCHEMBL4535939 0.85 USP30 (0.48) ALDH1A1L3MBTL1USP30EPHX1EPHX2
SCHEMBL4540008 0.84 MEN1 (0.50) ALDH1A1L3MBTL1POLBKMT2AMEN1

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