SCHEMBL9681404

SCHEMBL9681404

CSc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.56
TDP1 Q9NUW8 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 4/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL9701292 0.85 MAPT (0.74) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL9682931 0.83 MAPT (0.58) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL9683008 0.83 MAPT (0.67) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL9683146 0.82 MAPT (0.57) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL12658349 0.80 MAPT (0.53) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL10508498 0.80 MAPT (0.67) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL9687209 0.79 MAPT (0.53) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL9683160 0.78 MAPT (0.54) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL23652890 0.77 MAPT (0.48) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL14858791 0.77 MAPT (0.44) MAPTTDP1MEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed