SCHEMBL7091835

SCHEMBL7091835

O=C(O)c1ccc(CNc2ccc([N+](=O)[O-])c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2C(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 14/20 0.80
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7090212 0.93 SERPINE1 (0.74) SERPINE1MEN1KMT2APOLBSIRT6
SCHEMBL7089619 0.92 SERPINE1 (0.73) SERPINE1MEN1KMT2APOLBSIRT6
SCHEMBL7085700 0.90 SERPINE1 (0.76) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7084474 0.85 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7087872 0.84 SERPINE1 (1.00) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL7085640 0.83 SERPINE1 (0.61) SERPINE1MAPTLMNAHTTSIRT6
SCHEMBL7087727 0.82 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7085481 0.82 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7139738 0.81 SERPINE1 (0.57) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL7088258 0.77 SERPINE1 (0.65) SERPINE1MEN1KMT2AMAPTLMNA

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