SCHEMBL4292847

SCHEMBL4292847

O=C(NC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1)C1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.78
HSD11B1 P28845 1/20 0.62
CNR1 P21554 8/20 0.60
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.54

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
SCHEMBL4292842 1.00 EPHX2 (0.78) EPHX2HSD11B1CNR1ALDH1A1MEN1
SCHEMBL610753 0.86 EPHX2 (0.67) EPHX2HSD11B1CNR1ALDH1A1MEN1
SCHEMBL610754 0.86 EPHX2 (0.67) EPHX2HSD11B1CNR1ALDH1A1MEN1
SCHEMBL4145741 0.86 HSD11B1 (0.72) EPHX2HSD11B1ALDH1A1KMT2ATSHR
SCHEMBL4143730 0.85 EPHX2 (0.78) EPHX2HSD11B1ALDH1A1KMT2ATSHR
SCHEMBL4290150 0.85 EPHX2 (0.78) EPHX2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL4290145 0.85 EPHX2 (0.78) EPHX2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL4439394 0.85 EPHX2 (0.78) EPHX2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL4447361 0.84 HSD11B1 (0.72) EPHX2HSD11B1ALDH1A1KMT2ATSHR
SCHEMBL4005031 0.82 HSD11B1 (0.70) EPHX2HSD11B1ALDH1A1KMT2A

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