SCHEMBL4536856

SCHEMBL4536856

O=C(CC1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
EPHX1 P07099 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HCRTR1 O43613 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
PSMB5 P28074 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4535598 0.95 KMT2A (0.46) KMT2AMEN1EPHX1L3MBTL1SMN1; SMN2
SCHEMBL4537222 0.90 KMT2A (0.51) KMT2AMEN1EPHX1L3MBTL1SMN1; SMN2
SCHEMBL8066091 0.90 KMT2A (0.51) KMT2AMEN1EPHX1L3MBTL1SMN1; SMN2
SCHEMBL4539701 0.86 HDAC3 (0.47) KMT2AEPHX1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL4537439 0.86 EPHX2 (0.48) KMT2AEPHX1SMN1; SMN2RAB9AGAA
SCHEMBL4539395 0.84 LMNA (0.47) KMT2AMEN1EPHX1ALDH1A1GAA
SCHEMBL4537427 0.84 SMN1; SMN2 (0.52) KMT2AEPHX1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4539287 0.83 HCRTR1 (0.48) KMT2AMEN1EPHX1L3MBTL1HCRTR1
SCHEMBL4538146 0.83 CNR1 (0.47) KMT2AMEN1EPHX1L3MBTL1SMN1; SMN2
SCHEMBL4541178 0.83 EPHX1 (0.50) KMT2AEPHX1SMN1; SMN2ALDH1A1RAB9A

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