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Sugi Predict / Compounds / SCHEMBL7084567

SCHEMBL7084567

SCHEMBL7084567

O=C(O)C1CCCN1c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 18/20 1.00
▸ 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 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL7087664 0.94 SERPINE1 (0.88) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7087986 0.87 SERPINE1 (0.77) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7091396 0.86 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7091093 0.86 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7087663 0.82 SERPINE1 (0.89) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7090413 0.79 SERPINE1 (0.78) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7091079 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7084136 0.78 SERPINE1 (0.81) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7091901 0.76 SERPINE1 (0.71) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7088169 0.76 SERPINE1 (1.00) SERPINE1MAPTMEN1KMT2A

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