SCHEMBL8068258

SCHEMBL8068258

Cc1cccc(S(=O)(=O)N2CCCC(CNC(=O)[C@]34C[C@@H]5CC6C[C@H](C3)C4(C6)C5)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 3/20 0.37
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8065003 0.90 KMT2A (0.41) MEN1KMT2AGAALMNASMN1; SMN2
SCHEMBL4537741 0.86 EPHX2 (0.44) EPHX2MEN1KMT2AGAALMNA
SCHEMBL8060221 0.83 HTR1A (0.43) EPHX2
SCHEMBL4530583 0.82 EPHX2 (0.46) EPHX2MEN1KMT2AGAALMNA
SCHEMBL4542593 0.81 EPHX1 (0.50) EPHX2LMNA
SCHEMBL8066365 0.81 POLB (0.38) EPHX2MEN1KMT2ATSHRHTT
SCHEMBL4537521 0.77 LMNA (0.54) EPHX2LMNA
SCHEMBL4541162 0.76 EPHX2 (0.50) EPHX2MEN1KMT2AGAALMNA
SCHEMBL4537048 0.76 LMNA (0.47) EPHX2MEN1KMT2AGAALMNA
SCHEMBL4539368 0.76 KMT2A (0.46) MEN1KMT2AGAALMNASMN1; SMN2

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 1 patent. 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 disclosed