SCHEMBL4535854

SCHEMBL4535854

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
FBP1 P09467 1/20 0.47
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SLC13A5 Q86YT5 1/20 0.43
HSD11B1 P28845 3/20 0.43
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 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
SCHEMBL4539370 0.96 KMT2A (0.48) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4542446 0.94 SMN1; SMN2 (0.53) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4540835 0.93 MEN1 (0.47) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4542881 0.90 KMT2A (0.46) KMT2AALDH1A1MEN1LMNAFBP1
SCHEMBL4543003 0.88 CNR1 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL4530586 0.88 EPHX2 (0.52) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL4535273 0.88 HTT (0.51) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4542832 0.87 ALDH1A1 (0.54) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4540074 0.86 FBP1 (0.50) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4539847 0.85 USP30 (0.44) L3MBTL1MAPT

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