SCHEMBL4542557

SCHEMBL4542557

O=C(NCCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP5 P45974 1/20 0.45
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 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
SCHEMBL4534659 0.90 CYP3A4 (0.53) TGM2ALDH1A1POLBMEN1KMT2A
SCHEMBL4539523 0.90 ALDH1A1 (0.50) TGM2ALDH1A1POLBMEN1KMT2A
SCHEMBL4538137 0.89 LMNA (0.48) TGM2ALDH1A1MEN1KMT2AGAA
SCHEMBL4535273 0.89 HTT (0.51) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL4542881 0.88 KMT2A (0.46) TGM2HTTALDH1A1MEN1KMT2A
SCHEMBL4541028 0.85 MEN1 (0.52) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL4541778 0.85 LMNA (0.58) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL4541327 0.84 HDAC3 (0.51)
SCHEMBL4541252 0.82 EPHX2 (0.50) TGM2HTTALDH1A1MEN1KMT2A
SCHEMBL4537553 0.81 PAX8 (0.58) POLB

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