SCHEMBL4006910

SCHEMBL4006910

COc1cccc(C(=O)NC2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.61
LMNA P02545 3/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
GRM5 P41594 1/20 0.53
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
KMT2A Q03164 1/20 0.51
CNR2 P34972 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MCHR1 Q99705 1/20 0.49
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4006904 1.00 HSD11B1 (0.61) HSD11B1LMNATSHRMAPK1GRM5
SCHEMBL4013556 0.91 HSD11B1 (0.59) HSD11B1LMNATSHRMAPK1MMP2
SCHEMBL4013552 0.91 HSD11B1 (0.59) HSD11B1LMNATSHRMAPK1MMP2
SCHEMBL4002244 0.91 HSD11B1 (0.63) HSD11B1LMNATSHRMAPK1GRM5
SCHEMBL4002241 0.91 HSD11B1 (0.63) HSD11B1LMNATSHRMAPK1GRM5
SCHEMBL4444480 0.89 GRM5 (0.51) HSD11B1LMNATSHRMAPK1GRM5
SCHEMBL4009206 0.88 HSD11B1 (0.68) HSD11B1MMP2MMP13KMT2ACNR2
SCHEMBL4009203 0.88 HSD11B1 (0.68) HSD11B1MMP2MMP13KMT2ACNR2
SCHEMBL4006076 0.87 HSD11B1 (0.63) HSD11B1GRM5KMT2ACNR2NPSR1
SCHEMBL4006086 0.87 HSD11B1 (0.63) HSD11B1GRM5KMT2ACNR2NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed