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Sugi Predict / Compounds / SCHEMBL13894130

SCHEMBL13894130

SCHEMBL13894130

CN(C)N/C(=N/S(C)(=O)=O)NC[C@H](NC(=O)c1c(N)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.62
▸ ICAM1 P05362 20/20 0.62
▸ ITGAL P20701 20/20 0.62

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
SCHEMBL4755929 0.93 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL23992584 0.86 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL12169834 0.84 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL18877809 0.83 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL16867301 0.83 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL879360 0.83 ITGB2 (0.76) ITGB2ICAM1ITGAL
SCHEMBL23386423 0.83 ITGB2 (0.76) ITGB2ICAM1ITGAL
SCHEMBL18868498 0.81 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL15780925 0.81 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL18868573 0.81 ITGB2 (0.79) 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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