SCHEMBL7785592

SCHEMBL7785592

Cc1c(C)c(C)c(S(=O)(=O)NC(CC(=O)O)c2cccc(NS(=O)(=O)c3cccc(NC(=N)N)c3)c2)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGAV P06756 10/20 0.49
PKM P14618 1/20 0.41
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EEF2K O00418 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL6366667 0.88 ITGB3 (0.60) ITGB3ITGAVPKMATML3MBTL1
SCHEMBL7786198 0.85 ITGB3 (0.49) ITGB3ITGAVATML3MBTL1EEF2K
SCHEMBL7781109 0.85 ITGB3 (0.49) ITGB3ITGAVATML3MBTL1EEF2K
SCHEMBL7790169 0.85 ITGB3 (0.49) ITGB3ITGAVATMALDH1A1MEN1
SCHEMBL13715863 0.84 PKM (0.46) ITGB3ITGAVPKML3MBTL1ALDH1A1
SCHEMBL7785637 0.84 ATM (0.50) ITGB3ITGAVATML3MBTL1EEF2K
SCHEMBL7785629 0.84 ITGB3 (0.46) ITGB3ITGAVEEF2KALDH1A1MEN1
SCHEMBL7785621 0.84 ITGB3 (0.48) ITGB3ITGAVATML3MBTL1EEF2K
SCHEMBL7789961 0.84 ITGB3 (0.49) ITGB3ITGAVATML3MBTL1EEF2K
SCHEMBL7786249 0.83 EEF2K (0.50) ITGB3ITGAVEEF2KMEN1KMT2A

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