SCHEMBL7786249

SCHEMBL7786249

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 5/20 0.50
ITGB3 P05106 6/20 0.47
ITGAV P06756 6/20 0.47
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SERPINE1 P05121 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
ESR2 Q92731 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP7 P09237 1/20 0.39
HSD17B2 P37059 1/20 0.39

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 0.87 ITGB3 (0.60) EEF2KITGB3ITGAV
SCHEMBL7786198 0.87 ITGB3 (0.49) EEF2KITGB3ITGAVMEN1LMNA
SCHEMBL7781109 0.87 ITGB3 (0.49) EEF2KITGB3ITGAVMEN1KMT2A
SCHEMBL7781187 0.85 GAA (0.47) EEF2KITGB3GAAMEN1LMNA
SCHEMBL7785592 0.83 ITGB3 (0.49) EEF2KITGB3ITGAVMEN1LMNA
SCHEMBL7790169 0.83 ITGB3 (0.49) ITGB3ITGAVGAAMEN1LMNA
SCHEMBL7785637 0.82 ATM (0.50) EEF2KITGB3ITGAVMAPT
SCHEMBL7785621 0.82 ITGB3 (0.48) EEF2KITGB3ITGAVSLC1A3SLC1A2
SCHEMBL7785629 0.82 ITGB3 (0.46) EEF2KITGB3ITGAVMEN1LMNA
SCHEMBL7789961 0.81 ITGB3 (0.49) EEF2KITGB3ITGAVMEN1LMNA

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