SCHEMBL7788157

SCHEMBL7788157

N=C(N)NN(c1cccc(C(CC(=O)O)NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 4/20 0.37
CTSA P10619 6/20 0.36
ITGB3 P05106 5/20 0.35
ITGAV P06756 4/20 0.35
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
OGT O15294 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ITGA2B P08514 1/20 0.32

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
SCHEMBL7789956 0.89 EEF2K (0.39) EEF2KITGB3ITGAVATML3MBTL1
SCHEMBL7788758 0.89 ALDH1A1 (0.38) EEF2KCTSAITGB3ITGAVATM
SCHEMBL7781105 0.84 EEF2K (0.47) EEF2KITGB3ITGAVATML3MBTL1
SCHEMBL7786192 0.80 EEF2K (0.52) EEF2KITGB3ITGAVATML3MBTL1
SCHEMBL7785590 0.80 ATM (0.42) EEF2KITGB3ITGAVATML3MBTL1
SCHEMBL7785619 0.80 ATM (0.42) EEF2KITGB3ITGAVATML3MBTL1
SCHEMBL7786214 0.80 S1PR3 (0.41) CTSAITGB3ALDH1A1ITGA2B
SCHEMBL7194899 0.80 ITGB3 (0.44) CTSAITGB3ITGAVALDH1A1LMNA
SCHEMBL7785625 0.80 EEF2K (0.41) EEF2KITGB3ITGAVATML3MBTL1
SCHEMBL7788304 0.79 ITGB3 (0.42) CTSAITGB3ITGAVITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed