SCHEMBL4010564

SCHEMBL4010564

O=C(N[C@]1(S(=O)(=O)c2c(F)cccc2F)CCCNC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 3/20 0.34
SSTR4 P31391 1/20 0.34
HPGD P15428 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CDK9 P50750 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CXCR2 P25025 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4005701 0.88 CXCR2 (0.36) EPHX2GAAKMT2AHPGDMEN1
SCHEMBL4004677 0.83 KMT2A (0.47) EPHX2GAAKMT2AHDAC3HDAC1
SCHEMBL4004804 0.83 KMT2A (0.47) EPHX2GAAKMT2AHDAC3HDAC1
SCHEMBL4005033 0.83 EPHX2 (0.35) EPHX2KMT2AMEN1LMNAALDH1A1
SCHEMBL4010821 0.81 KMT2A (0.37) EPHX2KMT2AMEN1LMNAALDH1A1
SCHEMBL4009267 0.80 HSD11B1 (0.39) EPHX2GAAKMT2AMEN1LMNA
SCHEMBL4292846 0.80 EPHX2 (0.45) EPHX2
SCHEMBL4002524 0.80 EPHX2 (0.48) EPHX2GAAKMT2AMEN1LMNA
SCHEMBL4009421 0.80 CNR1 (0.48) KMT2ALMNAALDH1A1RXFP1
SCHEMBL4306301 0.80 EPHX2 (0.43) EPHX2KMT2AHPGDMEN1ALDH1A1

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