SCHEMBL7022159

SCHEMBL7022159

COc1ccccc1Sc1ccc(-c2ccnc(N3CCN(CC=O)CC3)c2)cc1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.80
ICAM1 P05362 20/20 0.80
ITGAL P20701 20/20 0.80

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
SCHEMBL5428752 0.89 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5423055 0.88 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL7025684 0.87 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL5418581 0.84 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5425569 0.84 ITGB2 (0.80) ITGB2ICAM1ITGAL
SCHEMBL5426353 0.82 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5426210 0.81 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5430313 0.81 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5426207 0.81 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5437304 0.81 ITGB2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294704-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2003-03-26 EP disclosed
WO-2002002539-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO disclosed