SCHEMBL3380574

SCHEMBL3380574

Cc1cc([N+](=O)[O-])c(NCCCCCCC(=O)O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 2/20 0.44
HCAR3 P49019 2/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SERPINE1 P05121 1/20 0.41
HTT P42858 2/20 0.41
PRSS1 P07477 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3380564 1.00 MAPT (0.47) MAPTMEN1KMT2ATDP1THRB
SCHEMBL864268 0.87 MAPT (0.58) MAPTTHRBHCAR3POLBALDH1A1
SCHEMBL864589 0.87 MAPT (0.54) MAPTMEN1KMT2ATDP1THRB
SCHEMBL1838157 0.82 MAPT (0.50) MAPTMEN1KMT2ATDP1THRB
SCHEMBL1838155 0.82 MAPT (0.50) MAPTMEN1KMT2ATDP1THRB
SCHEMBL3379700 0.81 KDM4E (0.41) MAPTTHRBALDH1A1HPGDL3MBTL1
SCHEMBL865328 0.79 MAPT (0.47) MAPTMEN1KMT2ATDP1THRB
SCHEMBL865327 0.79 MAPT (0.47) MAPTMEN1KMT2ATDP1THRB
SCHEMBL4172852 0.78 TMEM97 (0.55) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL27615854 0.78 MAPT (0.46) MAPTHCAR3ALDH1A1LMNAHTT

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-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed