SCHEMBL4538137

SCHEMBL4538137

O=C(NCCC1CCN(S(=O)(=O)c2ccccc2)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
TGM2 P21980 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL4539523 0.89 ALDH1A1 (0.50) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4542557 0.89 TGM2 (0.47) MEN1KMT2AALDH1A1TGM2GAA
SCHEMBL4534659 0.89 CYP3A4 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1TGM2
SCHEMBL4542832 0.89 ALDH1A1 (0.54) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4542881 0.88 KMT2A (0.46) LMNAMEN1KMT2AALDH1A1TGM2
SCHEMBL4541252 0.88 EPHX2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4541327 0.85 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4541041 0.84 ALDH1A1 (0.62) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4538134 0.80 ALDH1A1 (0.48) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4531162 0.78 KMT2A (0.45) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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