SCHEMBL4005033

SCHEMBL4005033

O=C(N[C@]1(S(=O)(=O)c2cccc(Cl)c2F)CCCNC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
HSD11B1 P28845 4/20 0.35
KMT2A Q03164 2/20 0.34
AKR1C3 P42330 1/20 0.33
FAAH O00519 1/20 0.33
MDM2 Q00987 1/20 0.33
CHRM1 P11229 1/20 0.32
MEN1 O00255 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 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
SCHEMBL4010678 0.88 HSD11B1 (0.45) EPHX2HSD11B1SMN1; SMN2LMNA
SCHEMBL4006571 0.87 HSD11B1 (0.43) HSD11B1SMN1; SMN2LMNA
SCHEMBL4005701 0.86 CXCR2 (0.36) EPHX2CTSLCTSBCTSSHSD11B1
SCHEMBL4010821 0.84 KMT2A (0.37) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4010564 0.83 EPHX2 (0.35) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL4292846 0.83 EPHX2 (0.45) EPHX2
SCHEMBL4001806 0.82 ATM (0.44) EPHX2CTSLCTSBCTSSHSD11B1
SCHEMBL4006938 0.82 L3MBTL1 (0.39) EPHX2CTSSKMT2AMEN1ALDH1A1
SCHEMBL4005536 0.81 SMN1; SMN2 (0.43) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4009267 0.81 HSD11B1 (0.39) EPHX2CTSSHSD11B1KMT2ACHRM1

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