SCHEMBL1021990

SCHEMBL1021990

O=C(NO)OC1c2ccc(OCCn3ccnc3)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
MMP1 P03956 3/20 0.42
MMP7 P09237 3/20 0.42
MMP12 P39900 3/20 0.42
MMP14 P50281 3/20 0.42
MMP15 P51511 3/20 0.42
MMP16 P51512 3/20 0.42
MMP26 Q9NRE1 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TBXAS1 P24557 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40

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
SCHEMBL1021032 0.93 MMP1 (0.49) MMP2MMP9MMP1MMP7MMP12
SCHEMBL1021792 0.92 TBXAS1 (0.44) CACNA1BL3MBTL1LMNAMMP2MMP9
SCHEMBL1021485 0.91 CACNA1B (0.43) CACNA1BL3MBTL1LMNAMMP2MMP9
SCHEMBL1022410 0.88 MMP1 (0.54) CACNA1BL3MBTL1LMNAMMP2MMP9
SCHEMBL1021791 0.86 TBXAS1 (0.46) CACNA1BL3MBTL1LMNAMMP2MMP9
SCHEMBL1022552 0.86 ESR1 (0.51) CACNA1BMMP2MMP9MMP1MMP7
SCHEMBL3538924 0.85 MMP1 (0.45) CACNA1BL3MBTL1LMNAMMP2MMP9
SCHEMBL1021973 0.85 MMP1 (0.47) LMNAMMP2MMP9MMP1MMP7
SCHEMBL1021428 0.84 MMP1 (0.49) MMP2MMP9MMP1MMP7MMP12
SCHEMBL1022854 0.84 MMP1 (0.48) MMP2MMP9MMP1MMP7MMP12

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-1869001-B1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
EP-1869001-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE Sanofi-Aventis (FR) 2007-12-26 EP disclosed
WO-2006102998-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (DE) 2006-10-05 WO disclosed