SCHEMBL8065003

SCHEMBL8065003

O=C(NCC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)[C@]12CC3CC4C[C@H](C1)C2(C4)C3

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FBP1 P09467 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HSD11B1 P28845 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
AKR1C3 P42330 1/20 0.37
DPP4 P27487 1/20 0.37
POLB P06746 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL8068258 0.90 EPHX2 (0.40) KMT2AMEN1LMNAGAAMAPT
SCHEMBL8066365 0.87 POLB (0.38) KMT2AMEN1HTTPOLB
SCHEMBL4539368 0.86 KMT2A (0.46) KMT2AMEN1ALDH1A1FBP1LMNA
SCHEMBL8066441 0.83 BDKRB1 (0.42) KMT2AMEN1ALDH1A1HSD11B1
SCHEMBL4535853 0.82 FBP1 (0.46) KMT2AMEN1ALDH1A1FBP1LMNA
SCHEMBL4536850 0.81 EPHX1 (0.52) KMT2AMEN1ALDH1A1FBP1LMNA
SCHEMBL4540834 0.77 HSD11B1 (0.47) KMT2AMEN1ALDH1A1FBP1HSD11B1
SCHEMBL4540068 0.77 EPHX1 (0.54) FBP1LMNAHSD11B1HTT
SCHEMBL8062169 0.76 FBP1 (0.50) KMT2AMEN1ALDH1A1FBP1LMNA
SCHEMBL4542443 0.76 FBP1 (0.50) KMT2AMEN1ALDH1A1FBP1LMNA

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