SCHEMBL7087900

SCHEMBL7087900

O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 17/20 0.67
SLC6A9 P48067 1/20 0.57
SLC6A5 Q9Y345 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MPO P05164 1/20 0.55

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
SCHEMBL7085648 0.82 LMNA (0.64) SERPINE1SLC6A9SLC6A5MEN1KMT2A
SCHEMBL7325216 0.80 MPO (0.83) MEN1KMT2AMPO
SCHEMBL7089125 0.80 SERPINE1 (1.00) SERPINE1SLC6A9SLC6A5
SCHEMBL1421137 0.79 SERPINE1 (1.00) SERPINE1SLC6A9SLC6A5
SCHEMBL7088271 0.76 SERPINE1 (0.73) SERPINE1
SCHEMBL7088383 0.76 SERPINE1 (0.69) SERPINE1SLC6A9SLC6A5MEN1KMT2A
SCHEMBL4249335 0.75 CTSV (0.71) MEN1KMT2AMPO
SCHEMBL7088443 0.75 SERPINE1 (0.90) SERPINE1SLC6A9SLC6A5
SCHEMBL3932988 0.73 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7088252 0.72 SERPINE1 (0.77) SERPINE1

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