SCHEMBL4535273

SCHEMBL4535273

O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP5 P45974 1/20 0.46
SLC13A5 Q86YT5 1/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 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
SCHEMBL4541028 0.96 MEN1 (0.52) HTTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL4541778 0.93 LMNA (0.58) HTTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL4542557 0.89 TGM2 (0.47) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL4541337 0.89 CYP3A4 (0.55) SMN1; SMN2KDM4EALDH1A1POLBMEN1
SCHEMBL4531162 0.89 KMT2A (0.45) HTTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL4532819 0.89 ALDH1A1 (0.49) LMNAKDM4EALDH1A1POLBKMT2A
SCHEMBL4542832 0.89 ALDH1A1 (0.54) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL4535854 0.88 KMT2A (0.47) HTTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL4539073 0.86 EPHX2 (0.51) HTTSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL4542103 0.86 EPHX2 (0.51) SMN1; SMN2ALDH1A1USP5CYP3A4GAA

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