SCHEMBL4535269

SCHEMBL4535269

O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SLC13A5 Q86YT5 1/20 0.45
GAA P10253 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL8061563 1.00 LMNA (0.51) LMNAHTTTSHRALOX12NPSR1
SCHEMBL4541025 0.95 MEN1 (0.50) LMNAHTTTSHRALOX12NPSR1
SCHEMBL4541776 0.94 LMNA (0.55) LMNAHTTTSHRALOX12NPSR1
SCHEMBL8064991 0.90 ALDH1A1 (0.49) LMNAHTTTSHRALOX12NPSR1
SCHEMBL4542554 0.90 DRD2 (0.51) LMNAHTTTSHRALOX12NPSR1
SCHEMBL4541335 0.89 CYP3A4 (0.51) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4531159 0.89 ALDH1A1 (0.51) LMNAHTTTSHRALOX12NPSR1
SCHEMBL8066749 0.89 CYP3A4 (0.51) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4532816 0.89 TP53 (0.48) LMNATSHRALOX12ALDH1A1POLB
SCHEMBL4542831 0.89 ALDH1A1 (0.53) LMNAALDH1A1MEN1KMT2AGAA

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