SCHEMBL5830335

SCHEMBL5830335

O=C(C=Cc1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)NCCCN1CCCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 16/20 1.00
ICAM1 P05362 16/20 1.00
ITGAL P20701 16/20 1.00
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.47
PLA2G4A P47712 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
SCHEMBL7662351 0.93 ITGB2 (0.86) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830529 0.92 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL5829935 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL5830259 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL6316019 0.86 ITGB2 (0.76) ITGB2ICAM1ITGALKMT2A
SCHEMBL6309906 0.84 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL5830329 0.82 ITGB2 (0.70) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL6311339 0.82 ITGAL (0.69) ITGB2ICAM1ITGALLMNAPLA2G4A
SCHEMBL5830331 0.82 ITGB2 (0.69) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL6312299 0.81 ITGB2 (0.82) ITGB2ICAM1ITGALKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed