SCHEMBL7085804

SCHEMBL7085804

O=C(O)c1ccc(OCc2ccc(Oc3cc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)c([N+](=O)[O-])cc3C(F)(F)F)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 16/20 0.88
NR4A2 P43354 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46

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
SCHEMBL7085638 0.94 SERPINE1 (0.84) SERPINE1NR4A2LMNAMAPTHTT
SCHEMBL7085685 0.94 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7088370 0.91 SERPINE1 (0.77) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7089529 0.89 SERPINE1 (0.75) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7088218 0.86 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7090405 0.83 SERPINE1 (0.80) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7084984 0.83 SERPINE1 (0.79) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7091114 0.82 SERPINE1 (0.77) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7088416 0.79 SERPINE1 (0.59) SERPINE1NR4A2RXRARXRBRXRG
SCHEMBL7087929 0.79 SERPINE1 (0.67) 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