SCHEMBL13894108

SCHEMBL13894108

O=C(O)CNC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 13/20 0.65
▸ ICAM1 P05362 13/20 0.65
▸ ITGAL P20701 13/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL18867795 0.85 ITGB2 (0.69) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL13665300 0.85 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13894063 0.84 ITGB2 (0.70) ITGB2ICAM1ITGALHDAC6ALDH1A1
SCHEMBL18868483 0.84 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868611 0.82 ITGB2 (0.65) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL13894118 0.81 HDAC6 (0.51) ITGB2ICAM1ITGALHDAC6
SCHEMBL13894281 0.80 ITGB2 (0.56) ITGB2ICAM1ITGALHDAC6
SCHEMBL25912527 0.80 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL13658128 0.80 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13894069 0.80 ITGB2 (0.67) ITGB2ICAM1ITGALHDAC6

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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