SCHEMBL13894068

SCHEMBL13894068

O=C(O)CNC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cn3cccc(O)c3n1)C2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.45
▸ ITGB2 P05107 18/20 0.45
▸ ICAM1 P05362 18/20 0.45
▸ ITGAL P20701 18/20 0.45

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
SCHEMBL13894147 0.85 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL18362298 0.85 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL13894118 0.80 HDAC6 (0.51) HDAC6ITGB2ICAM1ITGAL
SCHEMBL19157845 0.79 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL4755981 0.79 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL18868513 0.79 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL23153571 0.79 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL19158615 0.79 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL13894281 0.77 ITGB2 (0.56) HDAC6ITGB2ICAM1ITGAL
SCHEMBL18867789 0.77 ITGB2 (0.54) ITGB2ICAM1ITGAL

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-2009054914-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE CORPORATION (US) 2009-04-30 — — WO disclosed
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