SCHEMBL6441667

SCHEMBL6441667

O=C1NC(=O)C(c2ccc(Oc3ccc(Cl)cc3)cc2)(N2CCN(c3ccc(S(=O)(=O)N(CCO)CCO)cc3)CC2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.53
MMP9 P14780 18/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
S1PR1 P21453 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
MMP8 P22894 1/20 0.43
MMP13 P45452 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
SCHEMBL6446109 0.92 MMP2 (0.61) MMP2MMP9MMP8MMP13
SCHEMBL6441775 0.85 MMP2 (0.52) MMP2MMP9MMP8MMP13
SCHEMBL6441920 0.84 MMP2 (0.59) MMP2MMP9MMP8MMP13
SCHEMBL6443552 0.82 MMP2 (0.52) MMP2MMP9MMP8MMP13
SCHEMBL6441687 0.81 MMP2 (0.49) MMP2MMP9MMP8MMP13
SCHEMBL6443188 0.81 MMP2 (0.50) MMP2MMP9MMP8MMP13
SCHEMBL6447108 0.80 MMP2 (0.49) MMP2MMP9MMP8MMP13
SCHEMBL6443871 0.77 MMP2 (0.48) MMP2MMP9MMP8MMP13
SCHEMBL6443109 0.77 MMP2 (0.48) MMP2MMP9MMP8MMP13
SCHEMBL6441770 0.77 MMP2 (0.60) MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226128-B1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS HOFFMANN LA ROCHE (CH) 2005-02-23 EP claimed
US-6498252-B1 Pyrimidine-2,4,6-trione derivatives, processes for their production and pharmaceutical agents containing these compounds HOFFMANN-LA ROCHE INC. 2002-12-24 US claimed
EP-1226128-A1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP claimed
WO-2001025217-A1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-12 WO claimed