SCHEMBL4539368

SCHEMBL4539368

O=C(NCC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
FBP1 P09467 1/20 0.44
HSD11B1 P28845 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
AKR1C3 P42330 1/20 0.41
POLB P06746 1/20 0.41
DPP4 P27487 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
SCHEMBL4535853 0.95 FBP1 (0.46) KMT2AALDH1A1MEN1FBP1HSD11B1
SCHEMBL4540834 0.90 HSD11B1 (0.47) KMT2AALDH1A1MEN1FBP1HSD11B1
SCHEMBL4542443 0.89 FBP1 (0.50) KMT2AALDH1A1MEN1FBP1HSD11B1
SCHEMBL8062169 0.89 FBP1 (0.50) KMT2AALDH1A1MEN1FBP1HSD11B1
SCHEMBL4537741 0.89 EPHX2 (0.44) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL4541025 0.89 MEN1 (0.50) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL4536850 0.87 EPHX1 (0.52) KMT2AALDH1A1MEN1FBP1HSD11B1
SCHEMBL8065003 0.86 KMT2A (0.41) KMT2AALDH1A1MEN1FBP1HSD11B1
SCHEMBL4542877 0.86 HSD11B1 (0.44) KMT2AALDH1A1MEN1FBP1HSD11B1
SCHEMBL4537312 0.85 P2RX7 (0.43) KMT2AALDH1A1MEN1HTTPOLB

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