SCHEMBL4005701

SCHEMBL4005701

O=C(N[C@]1(S(=O)(=O)c2c(Cl)cccc2Cl)CCCNC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.33
ATM Q13315 1/20 0.33
STS P08842 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4010564 0.88 EPHX2 (0.35) CXCR2KMT2AMEN1LMNAALDH1A1
SCHEMBL4010678 0.86 HSD11B1 (0.45) LMNAEPHX2HSD11B1SMN1; SMN2
SCHEMBL4005033 0.86 EPHX2 (0.35) KMT2AMEN1LMNAALDH1A1ITGB1
SCHEMBL4009267 0.85 HSD11B1 (0.39) KMT2AMEN1LMNAALDH1A1EPHX2
SCHEMBL4006571 0.85 HSD11B1 (0.43) LMNAHSD11B1SMN1; SMN2
SCHEMBL4006598 0.84 NPSR1 (0.41) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL4307013 0.84 MMP2 (0.39) KMT2AMEN1LMNAALDH1A1
SCHEMBL4002524 0.81 EPHX2 (0.48) KMT2AMEN1LMNAALDH1A1EPHX2
SCHEMBL4292846 0.81 EPHX2 (0.45) EPHX2
SCHEMBL4306301 0.81 EPHX2 (0.43) KMT2AMEN1ALDH1A1HPGDEPHX2

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 claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed