SCHEMBL4789118

SCHEMBL4789118

O=S(=O)(NCc1cnn[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CXCR3 P49682 4/20 0.46
HSD11B1 P28845 2/20 0.46
PKM P14618 2/20 0.46
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL4789741 0.84 DRD2 (0.43) L3MBTL1GPR119ALDH1A1
SCHEMBL941442 0.75 GAA (0.68) KDM4EGAAL3MBTL1CXCR3PKM
SCHEMBL4754464 0.73 KDM4E (0.67) KDM4EGAAL3MBTL1CXCR3PKM
SCHEMBL6809004 0.71 GAA (0.60) KDM4EGAAL3MBTL1CXCR3PKM
SCHEMBL2155799 0.71 KDM4E (0.74) KDM4EGAAL3MBTL1CXCR3PKM
SCHEMBL3600596 0.69 KDM4E (1.00) KDM4EGAAL3MBTL1CXCR3HSD11B1
SCHEMBL27605771 0.69 SMN1; SMN2 (0.55) KDM4EGAAL3MBTL1HSD11B1MAPT
SCHEMBL3079705 0.69 CYP19A1 (0.51) SMN1; SMN2POLBALDH1A1CA1CA2
SCHEMBL942135 0.68 CXCR3 (0.60) KDM4EGAAL3MBTL1CXCR3PKM
SCHEMBL14581818 0.68 GAA (0.55) KDM4EGAAL3MBTL1CXCR3HSD11B1

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