SCHEMBL6249262

SCHEMBL6249262

CC(C)CC(C(=O)NO)C(N1CCC(Oc2ccc(F)cc2-c2cccnc2)CC1)=S(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.42
CHUK O15111 1/20 0.42
AAK1 Q2M2I8 1/20 0.39
GPR6 P46095 4/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCD O00767 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6218909 0.84 IKBKB (0.38) IKBKBGPR6
SCHEMBL6221153 0.81 IKBKB (0.44) IKBKBCHUKAAK1GPR6ALDH1A1
SCHEMBL6218845 0.76 GPR6 (0.36) IKBKBGPR6ALDH1A1L3MBTL1HTT
SCHEMBL6248847 0.75 IKBKB (0.48) IKBKBCHUKAAK1GPR6ALDH1A1
SCHEMBL6248851 0.75 IKBKB (0.48) IKBKBCHUKAAK1GPR6ALDH1A1
SCHEMBL6248849 0.75 IKBKB (0.48) IKBKBCHUKAAK1GPR6ALDH1A1
SCHEMBL6247991 0.67 PTGDR (0.38) IKBKBCHUKGPR6ALDH1A1L3MBTL1
SCHEMBL6247985 0.67 PTGDR (0.38) IKBKBCHUKGPR6ALDH1A1L3MBTL1
SCHEMBL6247984 0.67 PTGDR (0.38) IKBKBCHUKGPR6ALDH1A1L3MBTL1
SCHEMBL23717048 0.64 CYP11B1 (0.47) IKBKBCHUKCYP11B1CYP11B2CYP19A1

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
EP-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed