SCHEMBL4535598

SCHEMBL4535598

O=C(CC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
EPHX1 P07099 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
EPHX2 P34913 1/20 0.41
PSMB5 P28074 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 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
SCHEMBL4536856 0.95 KMT2A (0.44) KMT2AMEN1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL4537222 0.94 KMT2A (0.51) KMT2AMEN1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL8066091 0.94 KMT2A (0.51) KMT2AMEN1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL4541178 0.87 EPHX1 (0.50) KMT2AEPHX1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4539129 0.85 EPHX2 (0.52) KMT2AMEN1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL4535493 0.85 HDAC3 (0.52) KMT2AEPHX1SMN1; SMN2LMNARAB9A
SCHEMBL8070996 0.85 HDAC3 (0.52) KMT2AEPHX1SMN1; SMN2LMNARAB9A
SCHEMBL4542516 0.83 LMNA (0.49) KMT2AMEN1EPHX1ALDH1A1LMNA
SCHEMBL4532833 0.83 KMT2A (0.53) KMT2AMEN1EPHX1ALDH1A1LMNA
SCHEMBL4540431 0.83 NPC1 (0.55) KMT2AEPHX1SMN1; SMN2ALDH1A1LMNA

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