SCHEMBL7087727

SCHEMBL7087727

O=C(O)c1ccc(CNc2ccc([N+](=O)[O-])c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 15/20 1.00
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CASP6 P55212 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL7085481 0.86 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7087872 0.84 SERPINE1 (1.00) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL7084474 0.83 SERPINE1 (1.00) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7091835 0.82 SERPINE1 (0.80) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7085700 0.80 SERPINE1 (0.76) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7090212 0.79 SERPINE1 (0.74) SERPINE1MEN1KMT2APOLB
SCHEMBL7089619 0.79 SERPINE1 (0.73) SERPINE1MEN1KMT2APOLB
SCHEMBL7085002 0.76 MAPT (0.63) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7142564 0.74 SERPINE1 (0.66) SERPINE1MEN1KMT2APOLBMAPT
SCHEMBL7091114 0.73 SERPINE1 (0.77) SERPINE1MEN1KMT2AMAPTHTT

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