SCHEMBL4535853

SCHEMBL4535853

O=C(NCC1CCN(S(=O)(=O)c2cccc(Cl)c2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.46
HSD11B1 P28845 4/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC13A5 Q86YT5 1/20 0.42
CHRM1 P11229 1/20 0.41
HPGD P15428 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
SCHEMBL4539368 0.95 KMT2A (0.46) FBP1HSD11B1KMT2AALDH1A1MEN1
SCHEMBL4542443 0.94 FBP1 (0.50) FBP1HSD11B1KMT2AALDH1A1MEN1
SCHEMBL8062169 0.94 FBP1 (0.50) FBP1HSD11B1KMT2AALDH1A1MEN1
SCHEMBL4540834 0.93 HSD11B1 (0.47) FBP1HSD11B1KMT2AALDH1A1MEN1
SCHEMBL4542877 0.90 HSD11B1 (0.44) FBP1HSD11B1KMT2AALDH1A1MEN1
SCHEMBL8053633 0.89 ALDH1A1 (0.43) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL4543002 0.88 ALDH1A1 (0.45) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL4530583 0.88 EPHX2 (0.46) FBP1HSD11B1KMT2AALDH1A1MEN1
SCHEMBL8048322 0.88 ALDH1A1 (0.45) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL8061563 0.88 LMNA (0.51) KMT2AALDH1A1MEN1LMNASMN1; SMN2

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed