SCHEMBL8036366

SCHEMBL8036366

CC(C)CNC(=O)c1ccc(C2(F)CC2c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.47
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 5/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK14 Q16539 1/20 0.39
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRD1 P41143 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL8038465 0.88 RAB9A (0.48) MLYCDGAAKMT2AHSD17B10EPHX2
SCHEMBL8034310 0.83 MLYCD (0.43) MLYCDGAAKMT2AHSD17B10EPHX2
SCHEMBL8036369 0.78 MAOB (0.42) GAAMAPK1CYP2C19
Hydrochloric Acid SCHEMBL8038381 0.76 MAOB (0.43) MAPK1CYP2C19
SCHEMBL8040665 0.76 POLB (0.56) GAAKMT2AHSD17B10HPGDNPSR1
SCHEMBL8038378 0.75 MAOB (0.40) MAPK1CYP2C19
SCHEMBL8034589 0.74 RORC (0.42) HSD17B10ALDH1A1
SCHEMBL255251 0.74 GAA (0.76) MLYCDGAAKMT2AHSD17B10EPHX2
SCHEMBL17865783 0.72 MLYCD (0.73) MLYCDGAAKMT2AHSD17B10EPHX2
SCHEMBL18082335 0.72 NPC1 (0.71) MLYCDGAAKMT2AHSD17B10EPHX2

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