SCHEMBL6316019

SCHEMBL6316019

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

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.76
ICAM1 P05362 7/20 0.76
ITGAL P20701 7/20 0.76
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
RECQL P46063 1/20 0.54
MCL1 Q07820 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
PYGL P06737 7/20 0.49
RAB9A P51151 1/20 0.48

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 0.88 ITGB2 (0.86) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL5830335 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830529 0.80 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL6309906 0.80 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL6311339 0.79 ITGAL (0.69) ITGB2ICAM1ITGALMAPTL3MBTL1
SCHEMBL5829935 0.76 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6312299 0.76 ITGB2 (0.82) ITGB2ICAM1ITGALKMT2APYGL
SCHEMBL5830259 0.76 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL5830331 0.74 ITGB2 (0.69) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6310646 0.74 ITGAL (0.72) ITGB2ICAM1ITGALPYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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