SCHEMBL7085648

SCHEMBL7085648

O=[N+]([O-])c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SLC6A9 P48067 1/20 0.63
SLC6A5 Q9Y345 1/20 0.63
SERPINE1 P05121 13/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ENPP2 Q13822 1/20 0.53

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
SCHEMBL7087900 0.82 SERPINE1 (0.67) SLC6A9SLC6A5SERPINE1MEN1KMT2A
SCHEMBL29378218 0.81 GAA (0.61) LMNAMAPTHTTSLC6A9MEN1
SCHEMBL22465912 0.81 GAA (0.61) LMNAMAPTHTTSLC6A9MEN1
SCHEMBL853678 0.80 CCNA2 (0.58) LMNAHTTSLC6A9MEN1KMT2A
SCHEMBL7089010 0.79 MAPT (0.57) LMNAMAPTHTTL3MBTL1SERPINE1
SCHEMBL28901655 0.78 SLC6A9 (0.48) LMNAHTTSLC6A9SLC6A5KMT2A
SCHEMBL3932988 0.78 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL30006038 0.78 HTT (0.63) LMNAMAPTHTTMEN1KMT2A
SCHEMBL23538890 0.77 ALDH1A1 (0.68) LMNAHTTSLC6A9SLC6A5KMT2A
SCHEMBL5464512 0.77 ADRB1 (0.54) LMNASLC6A9KMT2A

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