SCHEMBL9700265

SCHEMBL9700265

O=[N+]([O-])c1ccc(F)cc1NCc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALPG P10696 1/20 0.56
HTR6 P50406 3/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SIRT6 Q8N6T7 1/20 0.44
APP P05067 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3513090 0.85 HTR6 (0.66) MAPTMEN1KMT2AHTR6ALDH1A1
SCHEMBL13331973 0.80 HTR6 (0.56) MAPTMEN1KMT2AHTR6ALDH1A1
SCHEMBL1748266 0.80 MAPT (0.51) MAPTMEN1KMT2AHTR6ALDH1A1
SCHEMBL1748023 0.80 HTR6 (0.50) MAPTMEN1KMT2AHTR6ALDH1A1
SCHEMBL5021178 0.77 MAPT (0.51) MAPTMEN1KMT2AHTR6ALDH1A1
SCHEMBL31395716 0.77 HTR6 (0.53) MAPTMEN1KMT2AHTR6ALDH1A1
SCHEMBL31210114 0.77 MAPT (0.56) MAPTMEN1KMT2AALPGHTR6
SCHEMBL9683100 0.77 MAPT (0.67) MAPTMEN1KMT2AALPGALDH1A1
SCHEMBL9138464 0.76 MAPT (0.73) MAPTMEN1KMT2AHTR6ALDH1A1
SCHEMBL31325569 0.76 MAPT (0.73) MAPTMEN1KMT2AHTR6ALDH1A1

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
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed