SCHEMBL7104148

SCHEMBL7104148

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1CCc1ccc(C(N)=NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F2 P00734 4/20 0.41
ACE P12821 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
TMPRSS11D O60235 2/20 0.36
ST14 Q9Y5Y6 1/20 0.36
CAPN1 P07384 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7102499 0.93 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2F2ACEPLAU
SCHEMBL7102491 0.92 F2 (0.42) F2ACETMPRSS11DCAPN1
SCHEMBL7102500 0.91 F2 (0.51) ALDH1A1SMN1; SMN2F2PLGTMPRSS11D
SCHEMBL7102590 0.88 ST14 (0.40) F2ACEPLAUST14
SCHEMBL7102567 0.85 F2 (0.45) ALDH1A1SMN1; SMN2F2PLGPLAU
SCHEMBL7106036 0.82 F2 (0.53) F2PLGTMPRSS11D
Hydrochloric Acid SCHEMBL7140906 0.82 F2 (0.54) F2PLGTMPRSS11D
SCHEMBL7104150 0.80 TMPRSS11D (0.48) F2PLGTMPRSS11D
SCHEMBL7104147 0.80 TMPRSS11D (0.48) F2PLGTMPRSS11D
SCHEMBL7105056 0.79 F2 (0.46) F2PLGPLAUST14

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