SCHEMBL6220488

SCHEMBL6220488

Cn1ccc2cc(-c3c(Cl)[c]ccc3/C=C/C(=O)NCCCN3CCCC3=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.49
ICAM1 P05362 7/20 0.49
ITGAL P20701 7/20 0.49
RAB9A P51151 4/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6196912 0.86 ITGB2 (0.57) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6913718 0.81 ITGB2 (0.56) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6220318 0.81 ITGB2 (0.47) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6220880 0.79 ITGB2 (0.53) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6317251 0.76 ITGB2 (0.71) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL7612170 0.72 ITGB2 (0.55) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL7064969 0.71 ITGB2 (0.49) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6220454 0.71 ITGB2 (0.42) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6217665 0.71 ITGB2 (0.48) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6220298 0.71 ITGB2 (0.45) ITGB2ICAM1ITGALRAB9AKMT2A

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
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed