SCHEMBL7088271

SCHEMBL7088271

O=C(O)c1ccc(COc2ccc([N+](=O)[O-])cc2CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 20/20 0.73

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
SCHEMBL7089096 0.90 SERPINE1 (0.62) SERPINE1
SCHEMBL7089125 0.85 SERPINE1 (1.00) SERPINE1
SCHEMBL7090192 0.83 SERPINE1 (0.55) SERPINE1
SCHEMBL1421137 0.79 SERPINE1 (1.00) SERPINE1
SCHEMBL7087872 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7088443 0.77 SERPINE1 (0.90) SERPINE1
SCHEMBL7087900 0.76 SERPINE1 (0.67) SERPINE1
SCHEMBL7088278 0.76 SERPINE1 (0.86) SERPINE1
SCHEMBL7088370 0.76 SERPINE1 (0.77) SERPINE1
SCHEMBL7085648 0.74 LMNA (0.64) SERPINE1

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
WO-2003080060-A1 SUBSTITUTED PIPERAZINE ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed