SCHEMBL7089619

SCHEMBL7089619

CN(C)C(=O)c1c(NCc2ccc(C(=O)O)cc2)ccc([N+](=O)[O-])c1N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 15/20 0.73
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SIRT6 Q8N6T7 1/20 0.43
POLB P06746 1/20 0.42
HTR6 P50406 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL7091835 0.92 SERPINE1 (0.80) SERPINE1MEN1KMT2ASIRT6POLB
SCHEMBL7090212 0.90 SERPINE1 (0.74) SERPINE1MEN1KMT2ASIRT6POLB
SCHEMBL7085700 0.85 SERPINE1 (0.76) SERPINE1MEN1KMT2ASIRT6POLB
SCHEMBL7084474 0.81 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLB
SCHEMBL7085640 0.80 SERPINE1 (0.61) SERPINE1SIRT6HTR6MGLL
SCHEMBL7087872 0.80 SERPINE1 (1.00) SERPINE1MEN1KMT2A
SCHEMBL7087727 0.79 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLB
SCHEMBL7085481 0.78 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLBMGLL
SCHEMBL7139738 0.77 SERPINE1 (0.57) SERPINE1MEN1KMT2A
SCHEMBL7088258 0.75 SERPINE1 (0.65) SERPINE1MEN1KMT2AHTR6MGLL

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