SCHEMBL4535909

SCHEMBL4535909

Cc1cccc(S(=O)(=O)N2CCC(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
USP2 O75604 1/20 0.55
EPHX1 P07099 2/20 0.53
EPHX2 P34913 4/20 0.52
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
HSD11B1 P28845 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4537257 0.94 LMNA (0.51) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4537048 0.89 LMNA (0.47) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4542374 0.88 HSD11B1 (0.53) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4542983 0.87 EPHX1 (0.57) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4542094 0.87 NPC1 (0.57) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4541867 0.86 CNR1 (0.51) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4535231 0.83 HTR7 (0.52) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4542494 0.83 HTR7 (0.52) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4537661 0.82 HTR1A (0.48) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4537521 0.82 LMNA (0.54) LMNAUSP2EPHX1EPHX2

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