SCHEMBL7091114

SCHEMBL7091114

O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 15/20 0.77
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GFER P55789 1/20 0.48

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
SCHEMBL7087633 0.94 SERPINE1 (0.78) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7085685 0.87 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7089573 0.87 SERPINE1 (0.64) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7087872 0.82 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7085804 0.82 SERPINE1 (0.88) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7088218 0.81 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7088258 0.80 SERPINE1 (0.65) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7084474 0.78 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7084136 0.78 SERPINE1 (0.81) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7084984 0.77 SERPINE1 (0.79) SERPINE1LMNAMAPTHTTL3MBTL1

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