SCHEMBL6501316

SCHEMBL6501316

Cc1cc(-c2cccc(C(F)(F)F)c2)c(C)cc1N=CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KCNA3 P22001 1/20 0.35
IKBKB O14920 1/20 0.35
BRD4 O60885 1/20 0.35
PIM1 P11309 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL6501313 1.00 GAA (0.42) GAAMAPTGFERPRMT3CARM1
SCHEMBL15022920 0.77 SLC6A2 (0.47) GAAMAPTGFERALDH1A1KDM4E
SCHEMBL6498343 0.77 MAPT (0.40) GAAMAPTGFER
SCHEMBL21495637 0.77 MAPT (0.40) GAAMAPTGFER
SCHEMBL15022922 0.77 SLC6A2 (0.47) GAAMAPTGFERALDH1A1KDM4E
SCHEMBL15022483 0.77 TEAD1 (0.42) GAAMAPTGFERALDH1A1KDM4E
SCHEMBL6498345 0.77 MAPT (0.40) GAAMAPTGFER
SCHEMBL15022484 0.77 TEAD1 (0.42) GAAMAPTGFERALDH1A1KDM4E
SCHEMBL7129127 0.76 PRMT3 (0.39) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL21495897 0.75 LRRK2 (0.38) GAAMAPTGFERALDH1A1

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-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed
EP-1150944-A1 N2-PHENYLAMIDINE DERIVATIVES Aventis CropScience GmbH (DE) 2001-11-07 EP disclosed
WO-2000046184-A1 N2-PHENYLAMIDINE DERIVATIVES AVENTIS CROPSCIENCE GMBH (FR) 2000-08-10 WO disclosed