SCHEMBL8055837

SCHEMBL8055837

O=C(O)/C=C\c1ccccc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.77
MAOB P27338 9/20 0.69
P4HB P07237 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
MAOA P21397 1/20 0.57
BACE1 P56817 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HTT P42858 1/20 0.49
HDAC3 O15379 1/20 0.48

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
SCHEMBL82266 1.00 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL29365331 1.00 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL82267 1.00 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
Hydrochloric Acid SCHEMBL6821798 0.98 NFKB1 (0.74) NFKB1MAOBP4HBABCG2MAOA
Guanidine SCHEMBL8060785 0.91 NFKB1 (0.64) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL6662586 0.88 NFKB1 (0.65) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL7499883 0.88 NFKB1 (0.60) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL5598947 0.87 NFKB1 (1.00) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL5598951 0.87 NFKB1 (1.00) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL8634363 0.86 NFKB1 (0.58) NFKB1MAOBP4HBABCG2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025349-A ANTIARRHYTHMIC PROPERTIES, HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
EP-0688766-B1 Phenylsubstituted alkenyl-carboxylic-acid-guanidines containing perfluoroalkyl groups, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AG (DE) 1999-03-24 EP disclosed
EP-0688766-A1 Phenylsubstituted alkenyl-carboxylic-acid-guanidines containing perfluoroalkyl groups, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed