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SCHEMBL7084474

SCHEMBL7084474

O=C(O)c1ccc(CNc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 16/20 1.00
▸ MAPT P10636 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 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
SCHEMBL7087872 0.90 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7091835 0.85 SERPINE1 (0.80) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7085700 0.83 SERPINE1 (0.76) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7087727 0.83 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7090212 0.82 SERPINE1 (0.74) SERPINE1MEN1KMT2APOLB
SCHEMBL7085481 0.82 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7087875 0.82 SERPINE1 (0.77) SERPINE1POLB
SCHEMBL7089619 0.81 SERPINE1 (0.73) SERPINE1MEN1KMT2APOLB
SCHEMBL7088278 0.78 SERPINE1 (0.86) SERPINE1LMNAHTTALDH1A1TDP1
SCHEMBL7091114 0.78 SERPINE1 (0.77) SERPINE1MAPTL3MBTL1LMNAHTT

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