SCHEMBL7445472

SCHEMBL7445472

N=C(N)NCc1cccc(-c2ccc(C(=O)NCC(NS(=O)(=O)c3ccccc3)C(=O)OC(=O)C(F)(F)F)s2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.63
ITGAV P06756 11/20 0.63
ITGA2B P08514 9/20 0.63
ITGB5 P18084 8/20 0.63
ITGB1 P05556 7/20 0.63
ITGA5 P08648 7/20 0.63
F2 P00734 6/20 0.43
TMPRSS6 Q8IU80 6/20 0.43
ACKR3 P25106 2/20 0.42
HPGDS O60760 1/20 0.41

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
SCHEMBL7451673 0.95 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL7445461 0.89 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451759 0.88 ITGAV (0.64) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451411 0.88 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7444692 0.87 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7449118 0.85 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL7451664 0.83 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451580 0.83 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7447985 0.83 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6494126 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1

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