SCHEMBL7102567

SCHEMBL7102567

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1CCc1cccc(C(=N)N)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.45
PLAU P00749 7/20 0.44
ST14 Q9Y5Y6 4/20 0.44
HPN P05981 1/20 0.44
HGFAC Q04756 1/20 0.44
F10 P00742 12/20 0.44
PLG P00747 5/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7102500 0.93 F2 (0.51) F2F10PLGALDH1A1SMN1; SMN2
SCHEMBL7105056 0.93 F2 (0.46) F2PLAUST14HPNHGFAC
SCHEMBL7102499 0.91 ALDH1A1 (0.42) F2PLAUST14HPNHGFAC
SCHEMBL7106036 0.86 F2 (0.53) F2F10PLG
Hydrochloric Acid SCHEMBL7140906 0.85 F2 (0.54) F2F10PLG
SCHEMBL7104148 0.85 ALDH1A1 (0.45) F2PLAUST14PLGALDH1A1
SCHEMBL7102590 0.83 ST14 (0.40) F2PLAUST14F10
SCHEMBL7463647 0.81 F2 (0.42) F2PLAUPLG
Hydrochloric Acid SCHEMBL7156977 0.81 F2 (0.43) F2
SCHEMBL7102558 0.80 TMPRSS11D (0.52) F2PLAUST14HPNF10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed