SCHEMBL7785625

SCHEMBL7785625

N=C(N)NN(c1cccc(C(CC(=O)O)NS(=O)(=O)c2cccs2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ITGB3 P05106 4/20 0.39
ITGAV P06756 4/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL7786192 0.85 EEF2K (0.52) EEF2KALDH1A1MEN1KMT2AATM
SCHEMBL7785595 0.85 MMP12 (0.42) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL7781105 0.85 EEF2K (0.47) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7785619 0.85 ATM (0.42) EEF2KALDH1A1ATML3MBTL1ITGB3
SCHEMBL7785590 0.85 ATM (0.42) EEF2KALDH1A1KMT2AATML3MBTL1
SCHEMBL7789956 0.83 EEF2K (0.39) EEF2KALDH1A1KMT2AATML3MBTL1
SCHEMBL7790163 0.82 ALDH1A1 (0.46) EEF2KALDH1A1MEN1KMT2AATM
SCHEMBL7785635 0.82 ATM (0.52) EEF2KALDH1A1KMT2AATML3MBTL1
SCHEMBL7194899 0.81 ITGB3 (0.44) ALDH1A1MEN1KMT2AITGB3ITGAV
SCHEMBL7788157 0.80 EEF2K (0.37) EEF2KALDH1A1ATML3MBTL1ITGB3

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