SCHEMBL13894057

SCHEMBL13894057

C[C@H](NC(O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccn3n1)C2)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 6/20 0.59
▸ ICAM1 P05362 6/20 0.59
▸ ITGAL P20701 6/20 0.59
▸ PRLHR P49683 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13894076 0.86 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL12063267 0.78 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL12169934 0.73 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL25912265 0.73 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL18868507 0.73 ITGB2 (0.54) ITGB2ICAM1ITGALPRLHRALDH1A1
SCHEMBL16851828 0.72 ITGB2 (0.76) ITGB2ICAM1ITGAL
SCHEMBL12054458 0.72 ITGB2 (0.76) ITGB2ICAM1ITGAL
SCHEMBL13894282 0.72 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL25912167 0.72 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL12188988 0.71 ITGB2 (0.64) 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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