SCHEMBL7452995

SCHEMBL7452995

N=C(N)NCc1ccccc1-c1ccc(C(=O)NCC(NC(=O)OCc2ccccc2)C(=O)O)s1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.57
ITGAV P06756 15/20 0.57
ITGA2B P08514 9/20 0.57
ITGB5 P18084 3/20 0.47
KCNA5 P22460 2/20 0.45
DYRK1A Q13627 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
ITGB1 P05556 2/20 0.41
ITGA5 P08648 2/20 0.41
PRP4K Q13523 1/20 0.40

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
SCHEMBL7453000 0.86 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL18072709 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL5626363 0.77 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL5626356 0.77 ITGB3 (0.63) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7444682 0.77 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6016218 0.76 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL7976545 0.73 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451864 0.73 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14844847 0.73 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7444692 0.73 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5DYRK1A

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-1187825-A1 THIOPHENE INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2002-03-20 EP disclosed
US-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 US disclosed
WO-2000075129-A1 THIOPHENE INTEGRIN INHIBITORS SHIRE BIOCHEM INC. (CA) 2000-12-14 WO disclosed