SCHEMBL4754464

SCHEMBL4754464

O=S(=O)(Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.65
GAA P10253 1/20 0.62
PKM P14618 2/20 0.59
CXCR3 P49682 2/20 0.57
GPR119 Q8TDV5 1/20 0.56
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
F13A1 P00488 1/20 0.55
TGM2 P21980 1/20 0.55
TGM1 P22735 1/20 0.55
LMNA P02545 2/20 0.54
ABL1 P00519 1/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL941442 0.87 GAA (0.68) KDM4EL3MBTL1GAAPKMCXCR3
SCHEMBL5335588 0.83 L3MBTL1 (0.91) KDM4EL3MBTL1GAAPKMGPR119
SCHEMBL2155799 0.82 KDM4E (0.74) KDM4EL3MBTL1GAAPKMCXCR3
SCHEMBL3600596 0.80 KDM4E (1.00) KDM4EL3MBTL1GAAPKMCXCR3
SCHEMBL6809004 0.80 GAA (0.60) KDM4EL3MBTL1GAAPKMCXCR3
SCHEMBL942135 0.79 CXCR3 (0.60) KDM4EL3MBTL1GAAPKMCXCR3
SCHEMBL23207522 0.79 KDM4E (0.62) KDM4EL3MBTL1GAAPKMMAPT
SCHEMBL8082196 0.78 SMN1; SMN2 (0.62) KDM4EL3MBTL1GAAMAPTSMN1; SMN2
SCHEMBL4754484 0.78 GPR119 (0.54) KDM4EL3MBTL1GAAGPR119SMN1; SMN2
SCHEMBL30582921 0.78 KDM4E (0.60) KDM4EL3MBTL1GAAPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147763-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-12-04 WO disclosed