SCHEMBL4539370

SCHEMBL4539370

O=C(NCC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FBP1 P09467 1/20 0.45
HTT P42858 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
AKR1C3 P42330 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
DPP4 P27487 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 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
SCHEMBL4535854 0.96 KMT2A (0.47) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4540835 0.91 MEN1 (0.47) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4542446 0.90 SMN1; SMN2 (0.53) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4537743 0.89 EPHX2 (0.48) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4541028 0.88 MEN1 (0.52) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4536853 0.87 EPHX1 (0.49) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4542881 0.86 KMT2A (0.46) KMT2AALDH1A1MEN1LMNAFBP1
SCHEMBL4537314 0.85 POLB (0.44) KMT2AALDH1A1MEN1HTTL3MBTL1
SCHEMBL4530586 0.84 EPHX2 (0.52) KMT2AALDH1A1MEN1SMN1; SMN2HTT
SCHEMBL4543003 0.84 CNR1 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2HTT

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