SCHEMBL7090212

SCHEMBL7090212

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

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 14/20 0.74
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MGLL Q99685 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
POLB P06746 2/20 0.43
HTR6 P50406 1/20 0.43

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 0.93 SERPINE1 (0.80) SERPINE1MEN1KMT2ASIRT6POLB
SCHEMBL7085640 0.91 SERPINE1 (0.61) SERPINE1MGLLSIRT6HTR6
SCHEMBL7089619 0.90 SERPINE1 (0.73) SERPINE1MEN1KMT2AMGLLSIRT6
SCHEMBL7085700 0.86 SERPINE1 (0.76) SERPINE1MEN1KMT2ASIRT6POLB
SCHEMBL7088258 0.83 SERPINE1 (0.65) SERPINE1MEN1KMT2AMGLLHTR6
SCHEMBL7084474 0.82 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLB
SCHEMBL7084782 0.81 MEN1 (0.55) SERPINE1MEN1KMT2APOLB
SCHEMBL7087872 0.81 SERPINE1 (1.00) SERPINE1MEN1KMT2A
SCHEMBL7087727 0.79 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLB
SCHEMBL7088406 0.79 SERPINE1 (0.51) SERPINE1MEN1KMT2AMGLL

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