SCHEMBL7091041

SCHEMBL7091041

O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1F

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
MAPT P10636 2/20 0.70
HTT P42858 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
SERPINE1 P05121 13/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SLC6A9 P48067 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CASP6 P55212 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL7087663 0.82 SERPINE1 (0.89) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL7087664 0.78 SERPINE1 (0.88) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL12341340 0.77 MAPT (0.67) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL5329963 0.77 MAPT (0.64) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL7084136 0.76 SERPINE1 (0.81) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL20989752 0.76 MAPT (0.66) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL7091396 0.76 SERPINE1 (1.00) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL7085648 0.76 LMNA (0.64) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL7084474 0.76 SERPINE1 (1.00) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL28226906 0.76 ALDH1A1 (0.77) LMNAMAPTHTTL3MBTL1MEN1

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