SCHEMBL8034546

SCHEMBL8034546

O=C(O)c1ccc(C2(F)CC2c2ccc(Br)c(Br)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.36
KDM1A O60341 2/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
EPHX2 P34913 1/20 0.32
CFTR P13569 2/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32

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
SCHEMBL8461900 0.81 TSHR (0.46) RXRARARBRARGTSHREPHX2
SCHEMBL8036369 0.80 MAOB (0.42) KDM1ATP53TSHR
SCHEMBL8036360 0.79 ALOX15 (0.50) RXRAKDM1ATSHRRCOR1
Hydrochloric Acid SCHEMBL8038381 0.79 MAOB (0.43) KDM1ATSHR
SCHEMBL8055080 0.77 GPBAR1 (0.35) KDM1ARCOR1
SCHEMBL13267497 0.69 TSHR (0.48) TP53TSHREPHX2
SCHEMBL8038378 0.69 MAOB (0.40) KDM1A
SCHEMBL8460862 0.68 KMO (0.43) RXRATSHR
SCHEMBL29810232 0.66 TTR (0.56) HTTHPGDTDP1TP53TSHR
SCHEMBL588825 0.66 TTR (0.56) HTTHPGDTDP1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159973-A Aromatic amides, their preparation process, the compositions containing them and their use as pesticides HOECHST SCHERING AGREVO S.A. (FR) 2000-12-12 US disclosed
EP-0805795-B1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-08-23 EP disclosed
US-6013837-A E.G.,4-(2-(3,4,5-TRICHLORO PHENYL) 1-FLUOROCYCLOPROPYL)-N-(2-METHYL PHENYL)BENZAMIDE; PARTICULAR USE AGAINST ARTHROPODS, HELMINTHS AND MOLLUSCS; INSECTICIDES; ACARICIDES; NEMATICIDES; PHOTOSTABILITY; NONTOXIC TO MAMMALS HOECHST MARION ROUSSEL (FR) 2000-01-11 US disclosed
EP-0805795-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 1997-11-12 EP disclosed
WO-1996022965-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1996-08-01 WO disclosed