SCHEMBL631002

SCHEMBL631002

NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
ITGB1 P05556 2/20 0.49
ITGA5 P08648 2/20 0.49
F10 P00742 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
DPP3 Q9NY33 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13206955 1.00 ITGB2 (0.52) ITGB2ICAM1ITGALITGB1ITGA5
SCHEMBL629768 1.00 ITGB2 (0.52) ITGB2ICAM1ITGALITGB1ITGA5
SCHEMBL1383977 0.89 KMT2A (0.50) ITGB2ICAM1ITGALITGB1ITGA5
SCHEMBL1384829 0.89 KMT2A (0.50) ITGB2ICAM1ITGALITGB1ITGA5
SCHEMBL630229 0.89 MMP9 (0.54) ITGB2ICAM1ITGALITGB1ITGA5
SCHEMBL8268055 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL8268308 0.86 FKBP1A (0.55) ITGB2ICAM1ITGALF10DPP3
SCHEMBL13206992 0.85 ITGB2 (0.46) ITGB2ICAM1ITGALF10
SCHEMBL7069023 0.84 ALOX5 (0.59) ITGB2ICAM1ITGALITGB1ITGA5
SCHEMBL630426 0.84 TDP1 (0.48) ITGB2ICAM1ITGALKMT2AMEN1

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-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed