SCHEMBL7785590

SCHEMBL7785590

Cc1c(C)c(C)c(S(=O)(=O)NC(CC(=O)O)c2cccc(N(NC(=N)N)S(=O)(=O)c3ccccc3)c2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EEF2K O00418 4/20 0.42
ALDH1A1 P00352 1/20 0.41
ITGB3 P05106 8/20 0.41
ITGAV P06756 8/20 0.41
OGT O15294 1/20 0.35
KMT2A Q03164 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
SCHEMBL7785619 0.85 ATM (0.42) ATML3MBTL1EEF2KALDH1A1ITGB3
SCHEMBL7786192 0.85 EEF2K (0.52) ATML3MBTL1EEF2KALDH1A1ITGB3
SCHEMBL7781105 0.85 EEF2K (0.47) ATML3MBTL1EEF2KALDH1A1ITGB3
SCHEMBL7790163 0.85 ALDH1A1 (0.46) ATML3MBTL1EEF2KALDH1A1ITGB3
SCHEMBL7785625 0.85 EEF2K (0.41) ATML3MBTL1EEF2KALDH1A1ITGB3
SCHEMBL7785635 0.84 ATM (0.52) ATML3MBTL1EEF2KALDH1A1ITGB3
SCHEMBL7789956 0.83 EEF2K (0.39) ATML3MBTL1EEF2KALDH1A1ITGB3
SCHEMBL7187004 0.83 MAPT (0.48) ATML3MBTL1EEF2KALDH1A1ITGB3
SCHEMBL7788768 0.82 ATM (0.40) ATML3MBTL1ALDH1A1ITGB3
SCHEMBL7194899 0.81 ITGB3 (0.44) ALDH1A1ITGB3ITGAVKMT2A

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