SCHEMBL4537222

SCHEMBL4537222

O=C(CC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.51
EPHX1 P07099 2/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
EPHX2 P34913 1/20 0.45
POLB P06746 2/20 0.44

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
SCHEMBL8066091 1.00 KMT2A (0.51) KMT2AMEN1EPHX1ALDH1A1SMN1; SMN2
SCHEMBL4535598 0.94 KMT2A (0.46) KMT2AMEN1EPHX1ALDH1A1SMN1; SMN2
SCHEMBL4536856 0.90 KMT2A (0.44) KMT2AMEN1EPHX1ALDH1A1SMN1; SMN2
SCHEMBL4539839 0.85 HDAC3 (0.54) KMT2AEPHX1SMN1; SMN2LMNARAB9A
SCHEMBL4539947 0.85 EPHX2 (0.57) KMT2AMEN1EPHX1SMN1; SMN2LMNA
SCHEMBL4017211 0.84 EPHX1 (0.56) KMT2AMEN1EPHX1LMNAL3MBTL1
SCHEMBL4539287 0.83 HCRTR1 (0.48) KMT2AMEN1EPHX1ALDH1A1SMN1; SMN2
SCHEMBL4537540 0.83 HCRTR1 (0.46) KMT2AMEN1EPHX1ALDH1A1SMN1; SMN2
SCHEMBL4540917 0.82 LMNA (0.53) KMT2AMEN1EPHX1ALDH1A1LMNA
SCHEMBL4542094 0.82 NPC1 (0.57) KMT2AMEN1EPHX1ALDH1A1SMN1; 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 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