SCHEMBL7102499

SCHEMBL7102499

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1CCc1cccc(C(N)=NO)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ST14 Q9Y5Y6 2/20 0.40
PLAU P00749 2/20 0.40
F2 P00734 4/20 0.39
MAPT P10636 1/20 0.37
ACE P12821 1/20 0.37
F10 P00742 2/20 0.37
PRSS1 P07477 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
CAPN1 P07384 1/20 0.36
HPN P05981 1/20 0.35
HGFAC Q04756 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
SCHEMBL7102590 0.93 ST14 (0.40) ST14PLAUF2ACEF10
SCHEMBL7104148 0.93 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2ST14PLAUF2
SCHEMBL7102567 0.91 F2 (0.45) ALDH1A1SMN1; SMN2ST14PLAUF2
SCHEMBL7102491 0.87 F2 (0.42) F2ACECAPN1
SCHEMBL7102500 0.85 F2 (0.51) ALDH1A1SMN1; SMN2F2F10
SCHEMBL7105056 0.83 F2 (0.46) ST14PLAUF2F10HPN
SCHEMBL7102496 0.81 TMPRSS11D (0.44) SMN1; SMN2ST14PLAUF2MAPT
SCHEMBL7102505 0.81 TMPRSS11D (0.44) SMN1; SMN2ST14PLAUF2MAPT
SCHEMBL7102587 0.79 TMPRSS11D (0.50) F2F10PRSS1
SCHEMBL7102595 0.79 TMPRSS11D (0.50) F2F10PRSS1

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