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SCHEMBL6689685

SCHEMBL6689685

O=C1NC(=O)C(c2ccc(Oc3ccc(Cl)cc3)cc2)(N2CCN(c3ncccn3)CC2)C(=O)N1N1C(=O)NC(=O)C(c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)(N2CCN(c3ncccn3)CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 17/20 0.39
▸ MMP9 P14780 17/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL6690419 0.93 MMP2 (0.46) MMP2MMP9MMP8MMP13
SCHEMBL728404 0.87 MMP2 (0.53) MMP2MMP9MMP8MMP13
SCHEMBL728143 0.82 MMP2 (0.57) MMP2MMP9MMP8MMP13
SCHEMBL5611211 0.81 MMP2 (0.51) MMP2MMP9MMP8MMP13
SCHEMBL726770 0.74 MMP2 (0.69) MMP2MMP9MMP8MMP13
SCHEMBL6449006 0.73 MMP2 (0.53) MMP2MMP9MMP8MMP13
SCHEMBL6442962 0.73 MMP2 (0.55) MMP2MMP9MMP8MMP13
SCHEMBL6689727 0.73 MMP2 (0.61) MMP2MMP9MMP8MMP13
SCHEMBL2532335 0.72 MMP2 (0.67) MMP2MMP9MMP8MMP13
SCHEMBL6462509 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004084903-A1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT AND PREVENTION OF OCULAR PATHOLOGIC ANGIOGENESIS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 — — WO claimed
WO-2004084902-A1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT OF CHRONIC WOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 — — WO claimed