SCHEMBL3841696

SCHEMBL3841696

CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C12CN(Cc1sccc1C(=O)O)CC2c1ccc(C#N)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.74
ITGB2 P05107 9/20 0.74
ICAM1 P05362 9/20 0.74

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
SCHEMBL3841690 1.00 ITGAL (0.74) ITGALITGB2ICAM1
SCHEMBL3839478 0.89 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL3839476 0.89 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL3840795 0.85 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL3840797 0.85 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL3842907 0.85 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3838184 0.85 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3842180 0.85 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5839416 0.85 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL5839417 0.85 ITGAL (0.77) 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 3 patents. 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
US-7078420-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-18 US disclosed
US-6977267-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-20 US disclosed