SCHEMBL4542594

SCHEMBL4542594

Cc1cccc(S(=O)(=O)N2CCCC(CNC(=O)N[C]3CCCCCCC3)C2)c1.[CH2].[CH2]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 4/20 0.42
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4537525 0.96 EPHX2 (0.50) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL4536853 0.89 EPHX1 (0.49) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL4542202 0.89 KMT2A (0.49) KMT2AALDH1A1L3MBTL1GAATP53
SCHEMBL4537743 0.87 EPHX2 (0.48) MEN1KMT2AEPHX2ALDH1A1GAA
SCHEMBL4540074 0.85 FBP1 (0.50) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL4537192 0.85 ALDH1A1 (0.52) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL4537967 0.84 ALDH1A1 (0.50) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL4539993 0.84 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL4537198 0.83 HTR1A (0.52)
SCHEMBL4542924 0.83 CYP3A4 (0.59) MEN1KMT2AALDH1A1L3MBTL1GAA

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 disclosed