SCHEMBL13614172

SCHEMBL13614172

CN1C(=O)N(c2cc(Cl)nc(Cl)c2)C(=O)[C@]12CN(Cc1cc(C=O)cs1)C[C@H]2c1ccc(C#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.68
ITGB2 P05107 8/20 0.68
ICAM1 P05362 8/20 0.68

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
SCHEMBL3843787 0.88 ITGAL (0.88) ITGALITGB2ICAM1
SCHEMBL3843790 0.88 ITGAL (0.88) ITGALITGB2ICAM1
SCHEMBL3838816 0.84 ITGAL (0.85) ITGALITGB2ICAM1
SCHEMBL3838820 0.84 ITGAL (0.85) ITGALITGB2ICAM1
SCHEMBL3838232 0.82 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL3838230 0.82 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL3838184 0.81 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3842180 0.81 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3842907 0.81 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3844738 0.79 ITGAL (0.85) ITGALITGB2ICAM1

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-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed