SCHEMBL7786192

SCHEMBL7786192

N=C(N)NN(c1cccc(C(CC(=O)O)NS(=O)(=O)c2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 8/20 0.52
ALDH1A1 P00352 2/20 0.46
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ITGB3 P05106 5/20 0.41
ITGAV P06756 5/20 0.41
OGT O15294 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7790163 0.89 ALDH1A1 (0.46) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7785635 0.88 ATM (0.52) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7781105 0.87 EEF2K (0.47) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7790178 0.86 CTSA (0.41) EEF2KL3MBTL1ITGB3ITGAVMEN1
SCHEMBL7785590 0.85 ATM (0.42) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7785619 0.85 ATM (0.42) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7785625 0.85 EEF2K (0.41) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7789956 0.83 EEF2K (0.39) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7187004 0.83 MAPT (0.48) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7194899 0.81 ITGB3 (0.44) ALDH1A1ITGB3ITGAVMEN1KMT2A

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